pyrimethamine [Ligand Id: 4800] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL36 (Chloridin, Chloridine, Daraprim, GNF-PF-5586, Malacide, NSC-3061, Pyrimethamine, Pyrimethaminum, RP-4753, TCMDC-123831, TCMDC-125860, WR-2978) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Beta-hexosaminidase subunit alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1250415] [UniProtKB: P06865] | ||||||||
| ChEMBL | Inhibition of HexA alpha G269S mutant in ATSD patient fibroblasts using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometry | B | 5.07 | pIC50 | 8500 | nM | IC50 | J Med Chem (2015) 58: 4483-4493 [PMID:25984755] |
| Beta-hexosaminidase subunit beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5877] [UniProtKB: P07686] | ||||||||
| ChEMBL | Inhibition of human placental HexB using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometry | B | 5.04 | pIC50 | 9100 | nM | IC50 | J Med Chem (2015) 58: 4483-4493 [PMID:25984755] |
| ChEMBL | Inhibition of human placental HexB using MUGS substrate incubated for 1 to 2 hrs at pH 7.0 by spectrofluorometry | B | 5.35 | pIC50 | 4500 | nM | IC50 | J Med Chem (2015) 58: 4483-4493 [PMID:25984755] |
| Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum V1/S [GtoPdb: 2981] | ||||||||
| GtoPdb | Parasite growth inhibition assay | - | 4 | pIC50 | >100000 | nM | IC50 | Proc Natl Acad Sci USA (2012) 109: 16823-8 [PMID:23035243] |
| GtoPdb | Parasite growth inhibition assay | - | 5 | pIC50 | >10000 | nM | IC50 | PLoS Med (2012) 9: e1001169 [PMID:22363211] |
| Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum K1 [GtoPdb: 2981] | ||||||||
| GtoPdb | Parasite growth inhibition assay | - | 5 | pIC50 | >10000 | nM | IC50 | PLoS Med (2012) 9: e1001169 [PMID:22363211] |
| Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum NF54 [GtoPdb: 2981] | ||||||||
| GtoPdb | Parasite growth inhibition assay | - | 7.77 | pIC50 | 17 | nM | IC50 | PLoS Med (2012) 9: e1001169 [PMID:22363211] |
| Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase/Bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum 3D7 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4296323] [GtoPdb: 2981] [UniProtKB: Q8I1R6] | ||||||||
| ChEMBL | Inhibition of pyrimethamine-resistant form-2 Plasmodium falciparum N51I, C59R, S108N, I164L, K96N mutant expressed in Escherichia coli BL21(DE3) by Michaelis-Menten based competitive inhibition assay | B | 9.07 | pKi | 0.85 | nM | Ki | Antimicrob Agents Chemother (2007) 51: 4356-4360 [PMID:17875995] |
| ChEMBL | Inhibition of pyrimethamine-resistant form-2 Plasmodium falciparum N51I, C59R, S108N, I164L, K96N mutant expressed in Escherichia coli BL21(DE3) | B | 5.61 | pIC50 | 2480 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 4356-4360 [PMID:17875995] |
| Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum 7G8 [GtoPdb: 2981] | ||||||||
| GtoPdb | Parasite growth inhibition assay | - | 5.17 | pIC50 | 6688.7 | nM | IC50 | PLoS Med (2012) 9: e1001169 [PMID:22363211] |
| Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum D6 [GtoPdb: 2981] | ||||||||
| GtoPdb | Parasite growth inhibition assay | - | 8.34 | pIC50 | 4.6 | nM | IC50 | PLoS Med (2012) 9: e1001169 [PMID:22363211] |
| Dihydrofolate reductase in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1809] [UniProtKB: P0ABQ4] | ||||||||
| ChEMBL | Thermodynamic dissociation constant of compound for mutant T46N Escherichia coli dihydrofolate reductase | B | 7.8 | pKd | 16 | nM | Kd | J Med Chem (1992) 35: 2912-2915 [PMID:1495020] |
| ChEMBL | Thermodynamic dissociation constant of compound for wild type Escherichia coli dihydrofolate reductase | B | 7.89 | pKd | 13 | nM | Kd | J Med Chem (1992) 35: 2912-2915 [PMID:1495020] |
| ChEMBL | Thermodynamic dissociation constant of compound for mutant T46S Escherichia coli dihydrofolate reductase | B | 8.82 | pKd | 1.5 | nM | Kd | J Med Chem (1992) 35: 2912-2915 [PMID:1495020] |
| ChEMBL | Thermodynamic dissociation constant of compound for mutant T46A Escherichia coli dihydrofolate reductase | B | 8.85 | pKd | 1.4 | nM | Kd | J Med Chem (1992) 35: 2912-2915 [PMID:1495020] |
| ChEMBL | Inhibition constant against binding of Escherichia coli dihydrofolate reductase | B | 6.55 | pKi | 281.84 | nM | Ki | J Med Chem (1988) 31: 1396-1406 [PMID:3290487] |
| ChEMBL | Inhibitor constant of compound for mutant T46N Escherichia coli dihydrofolate reductase | B | 7.7 | pKi | 20 | nM | Ki | J Med Chem (1992) 35: 2912-2915 [PMID:1495020] |
| ChEMBL | Inhibitor constant of compound for wild type Escherichia coli dihydrofolate reductase | B | 8 | pKi | 10 | nM | Ki | J Med Chem (1992) 35: 2912-2915 [PMID:1495020] |
| ChEMBL | Inhibitor constant of compound for mutant T46S Escherichia coli dihydrofolate reductase | B | 8.28 | pKi | 5.2 | nM | Ki | J Med Chem (1992) 35: 2912-2915 [PMID:1495020] |
| ChEMBL | Inhibitor constant of compound for mutant T46A Escherichia coli dihydrofolate reductase | B | 8.92 | pKi | 1.2 | nM | Ki | J Med Chem (1992) 35: 2912-2915 [PMID:1495020] |
| ChEMBL | Inhibition of Escherichia coli DHFR | B | 5.18 | pIC50 | 6600 | nM | IC50 | Bioorg Med Chem (2012) 20: 4217-4225 [PMID:22739090] |
| ChEMBL | Inhibition of Escherichia coli dihydrofolate reductase | B | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2008) 51: 4589-4600 [PMID:18605720] |
| Dihydrofolate reductase in Pneumocystis carinii (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1926] [UniProtKB: P16184] | ||||||||
| ChEMBL | Binding affinity was reported with purified recombinant Pneumocystis carinii Dihydrofolate reductase | B | 8.01 | pKi | 9.7 | nM | Ki | J Med Chem (1995) 38: 4739-4759 [PMID:7490723] |
| ChEMBL | Inhibition of Dihydrofolate reductase of Pneumocystis carinii | B | 5.43 | pIC50 | 3700 | nM | IC50 | J Med Chem (1994) 37: 4522-4528 [PMID:7799402] |
| ChEMBL | Inhibitory activity against Pneumocystis carinii Dihydrofolate reductase | B | 5.43 | pIC50 | 3700 | nM | IC50 | J Med Chem (1995) 38: 745-752 [PMID:7877140] |
| ChEMBL | Inhibition of Pneumocystis carinii Dihydrofolate Reductase | B | 5.43 | pIC50 | 3700 | nM | IC50 | J Med Chem (1997) 40: 3694-3699 [PMID:9357537] |
| ChEMBL | In vitro inhibitory concentration against Pneumocystis carinii dihydrofolate reductase | B | 5.44 | pIC50 | 3650 | nM | IC50 | J Med Chem (1997) 40: 1886-1893 [PMID:9191966] |
| ChEMBL | Inhibitory activity against Pneumocystis carinii dihydrofolate reductase | B | 5.44 | pIC50 | 3650 | nM | IC50 | J Med Chem (1996) 39: 1271-1280 [PMID:8632434] |
| ChEMBL | Inhibitory activity against dihydrofolate reductase in Pneumocystis carinii at 37 centigrade. | B | 5.55 | pIC50 | 2800 | nM | IC50 | J Med Chem (1995) 38: 4739-4759 [PMID:7490723] |
| ChEMBL | Compound was tested for inhibition activity against pneumocystis carinii (Pneumocystis carinii) Dihydrofolate reductase | B | 5.62 | pIC50 | 2400 | nM | IC50 | J Med Chem (1998) 41: 913-918 [PMID:9526565] |
| ChEMBL | Inhibition of Pneumocystis carinii DHFR | B | 5.62 | pIC50 | 2400 | nM | IC50 | J Med Chem (2013) 56: 4422-4441 [PMID:23627352] |
| Dihydrofolate reductase in Candida albicans (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2329] [UniProtKB: P22906] | ||||||||
| ChEMBL | Inhibition of dihydrofolate reductase in Candida albicans (in vitro). | B | 5.3 | pIC50 | 5000 | nM | IC50 | J Med Chem (1995) 38: 3608-3616 [PMID:7658448] |
| Dihydrofolate reductase in Toxoplasma gondii (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2425] [UniProtKB: Q07422] | ||||||||
| ChEMBL | Compound was tested for inhibition activity against Toxoplasma gondii (Toxoplasma gondii) Dihydrofolate reductase | B | 6.41 | pIC50 | 390 | nM | IC50 | J Med Chem (1998) 41: 913-918 [PMID:9526565] |
| ChEMBL | Inhibitory activity against Toxoplasma gondii dihydrofolate reductase | B | 6.41 | pIC50 | 390 | nM | IC50 | J Med Chem (1996) 39: 1271-1280 [PMID:8632434] |
| ChEMBL | Inhibitory activity against Toxoplasma gondii Dihydrofolate reductase | B | 6.41 | pIC50 | 390 | nM | IC50 | J Med Chem (1995) 38: 745-752 [PMID:7877140] |
| ChEMBL | The ability to inhibit Toxoplasma gondii Dihydrofolate reductase was tested | B | 6.41 | pIC50 | 390 | nM | IC50 | J Med Chem (1999) 42: 1007-1017 [PMID:10090784] |
| ChEMBL | Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii. | B | 6.41 | pIC50 | 390 | nM | IC50 | J Med Chem (2001) 44: 2555-2564 [PMID:11472209] |
| ChEMBL | Inhibition of Toxoplasma gondii Dihydrofolate Reductase | B | 6.41 | pIC50 | 390 | nM | IC50 | J Med Chem (1997) 40: 3694-3699 [PMID:9357537] |
| ChEMBL | Inhibitory concentration against Toxoplasma gondii dihydrofolate reductase | B | 6.41 | pIC50 | 390 | nM | IC50 | J Med Chem (1997) 40: 1886-1893 [PMID:9191966] |
| ChEMBL | Inhibition of Dihydrofolate reductase of Toxoplasma gondii | B | 6.41 | pIC50 | 390 | nM | IC50 | J Med Chem (1994) 37: 4522-4528 [PMID:7799402] |
| ChEMBL | Inhibition of Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 preincubated for 15 mins followed by addition of DHF as substrate and NADPH measured after 60 mins by resazurin/diaphorase coupled assay | B | 6.64 | pIC50 | 230 | nM | IC50 | ACS Med Chem Lett (2016) 7: 1124-1129 [PMID:27994750] |
| ChEMBL | Inhibition of Toxoplasma gondii DHFR | B | 6.7 | pIC50 | 200 | nM | IC50 | Bioorg Med Chem (2012) 20: 4217-4225 [PMID:22739090] |
| ChEMBL | Inhibition of Toxoplasma gondii DHFR-TS expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed by substrate and NADPH addition and measured after 60 mins by resazurin dye based diaphorase-coupled assay | B | 6.86 | pIC50 | 139 | nM | IC50 | J Med Chem (2019) 62: 1562-1576 [PMID:30624926] |
| ChEMBL | Inhibition of Toxoplasma gondii dihydrofolate reductase | B | 7.1 | pIC50 | 80 | nM | IC50 | J Med Chem (2008) 51: 4589-4600 [PMID:18605720] |
| Dihydrofolate reductase in Plasmodium falciparum K1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1939] [UniProtKB: P13922] | ||||||||
| ChEMBL | Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with quadruple (N51I + C59R + S108N + I164L) mutations | B | 6.07 | pKi | 860 | nM | Ki | J Med Chem (2003) 46: 2834-2845 [PMID:12825927] |
| ChEMBL | Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparum | B | 6.41 | pKi | 385 | nM | Ki | J Med Chem (2004) 47: 673-680 [PMID:14736247] |
| ChEMBL | Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutations | B | 6.42 | pKi | 380 | nM | Ki | J Med Chem (2003) 46: 2834-2845 [PMID:12825927] |
| ChEMBL | Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparum | B | 6.95 | pKi | 112 | nM | Ki | J Med Chem (2004) 47: 673-680 [PMID:14736247] |
| ChEMBL | Binding affinity was evaluated as inhibition of mutant (C59R + S108N) Plasmodium falciparum DHFR-TS. | B | 7.14 | pKi | 71.7 | nM | Ki | J Med Chem (1998) 41: 1367-1370 [PMID:9554869] |
| ChEMBL | Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparum | B | 7.17 | pKi | 67.1 | nM | Ki | J Med Chem (2004) 47: 673-680 [PMID:14736247] |
| ChEMBL | Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR) | B | 7.27 | pKi | 53.9 | nM | Ki | J Med Chem (2002) 45: 1244-1252 [PMID:11881993] |
| ChEMBL | Inhibition of the S108N mutant of dihydrofolate reductase (DHFR) | B | 7.54 | pKi | 28.6 | nM | Ki | J Med Chem (2002) 45: 1244-1252 [PMID:11881993] |
| ChEMBL | Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single A16V mutation | B | 8.22 | pKi | 6 | nM | Ki | J Med Chem (2003) 46: 2834-2845 [PMID:12825927] |
| ChEMBL | Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutations | B | 8.44 | pKi | 3.6 | nM | Ki | J Med Chem (2003) 46: 2834-2845 [PMID:12825927] |
| ChEMBL | Inhibitor constant of compound for mutant S108 N Plasmodium falciparum in dihydrofolate reductase | B | 8.7 | pKi | 2 | nM | Ki | J Med Chem (1992) 35: 2912-2915 [PMID:1495020] |
| ChEMBL | Binding affinity was evaluated as inhibition of recombinant wild type (WT) Plasmodium falciparum DHFR-TS. | B | 8.82 | pKi | 1.5 | nM | Ki | J Med Chem (1998) 41: 1367-1370 [PMID:9554869] |
| ChEMBL | Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase) | B | 8.82 | pKi | 1.5 | nM | Ki | J Med Chem (2003) 46: 2834-2845 [PMID:12825927] |
| ChEMBL | Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutation | B | 8.85 | pKi | 1.4 | nM | Ki | J Med Chem (2003) 46: 2834-2845 [PMID:12825927] |
| ChEMBL | Inhibition constant against Plasmodium falciparum dihydrofolate reductase | B | 9.06 | pKi | 0.87 | nM | Ki | J Med Chem (2004) 47: 4258-4267 [PMID:15293997] |
| ChEMBL | Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum. | B | 9.22 | pKi | 0.6 | nM | Ki | J Med Chem (2004) 47: 673-680 [PMID:14736247] |
| ChEMBL | Inhibition of the wild-type dihydrofolate reductase (DHFR) | B | 9.22 | pKi | 0.6 | nM | Ki | J Med Chem (2002) 45: 1244-1252 [PMID:11881993] |
| ChEMBL | Inhibitor constant of compound for Plasmodium falciparum dihydrofolate reductase | B | 9.72 | pKi | 0.19 | nM | Ki | J Med Chem (1992) 35: 2912-2915 [PMID:1495020] |
| ChEMBL | In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase CN51I/C59R/S108N/I164L (V1/S) mutant | F | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (2004) 47: 673-680 [PMID:14736247] |
| ChEMBL | In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase N51I/C59R/S108N (W2) | F | 4.13 | pIC50 | 73500 | nM | IC50 | J Med Chem (2004) 47: 673-680 [PMID:14736247] |
| ChEMBL | In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase C59R+S108N/I164L (Csl-2) mutant | F | 4.38 | pIC50 | 41700 | nM | IC50 | J Med Chem (2004) 47: 673-680 [PMID:14736247] |
| ChEMBL | Antiplasmodial activity IC50 against Plasmodium falciparum K1CB1 DHFR double-mutant (C59R/S10) | F | 4.51 | pIC50 | 30900 | nM | IC50 | J Med Chem (2002) 45: 1244-1252 [PMID:11881993] |
| ChEMBL | In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase wild type (TM4/8.2) | F | 7.1 | pIC50 | 80 | nM | IC50 | J Med Chem (2004) 47: 673-680 [PMID:14736247] |
| ChEMBL | Inhibition of Plasmodium falciparum DHFR | B | 7.1 | pIC50 | 80 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 4366-4370 [PMID:16750361] |
| ChEMBL | Inhibition of Plasmodium falciparum DHFR | B | 7.24 | pIC50 | 58 | nM | IC50 | Bioorg Med Chem (2017) 25: 6467-6478 [PMID:29111368] |
| ChEMBL | Inhibition of Plasmodium falciparum DHFR using DHF as substrate preincubated for 15 mins followed DHF addition measured after 15 mins by spectrophotometric method | B | 7.59 | pIC50 | 25.5 | nM | IC50 | Bioorg Med Chem (2017) 25: 6467-6478 [PMID:29111368] |
| dihydrofolate reductase/Dihydrofolate reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL202] [GtoPdb: 2603] [UniProtKB: P00374] | ||||||||
| ChEMBL | Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis | B | 6.33 | pKi | 470 | nM | Ki | Eur J Med Chem (2017) 135: 467-478 [PMID:28477572] |
| ChEMBL | Inhibition of recombinant Dihydrofolate reductase from Leishmania major. | B | 6.6 | pKi | 250 | nM | Ki | J Med Chem (1999) 42: 4300-4312 [PMID:10543874] |
| ChEMBL | Inhibition of recombinant Dihydrofolate reductase from humans. | B | 6.92 | pKi | 120 | nM | Ki | J Med Chem (1999) 42: 4300-4312 [PMID:10543874] |
| ChEMBL | Inhibition of recombinant Dihydrofolate reductase from Trypanosoma cruzi. | B | 7.01 | pKi | 98 | nM | Ki | J Med Chem (1999) 42: 4300-4312 [PMID:10543874] |
| ChEMBL | Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assay | B | 7.51 | pKi | 30.8 | nM | Ki | Antimicrob Agents Chemother (2010) 54: 2603-2610 [PMID:20350951] |
| ChEMBL | Inhibition of recombinant Dihydrofolate reductase from humans. | B | 7.96 | pKi | 11 | nM | Ki | J Med Chem (1999) 42: 4300-4312 [PMID:10543874] |
| ChEMBL | Cytotoxicity by selective inhibition against human dihydrofolate reductase (DHFR). | B | 8.1 | pKi | 8 | nM | Ki | J Med Chem (2002) 45: 1244-1252 [PMID:11881993] |
| ChEMBL | Inhibition of human dihydrofolate reductase | B | 5.22 | pIC50 | 6000 | nM | IC50 | J Med Chem (2008) 51: 4589-4600 [PMID:18605720] |
| ChEMBL | Inhibition of human DHFR | B | 5.22 | pIC50 | 6000 | nM | IC50 | Bioorg Med Chem (2012) 20: 4217-4225 [PMID:22739090] |
| ChEMBL | In vitro inhibition of human dihydrofolate reductase | B | 5.59 | pIC50 | 2600 | nM | IC50 | J Med Chem (1995) 38: 3608-3616 [PMID:7658448] |
| ChEMBL | Inhibition of human recombinant DHFR | B | 6.4 | pIC50 | 400 | nM | IC50 | J Med Chem (2013) 56: 4422-4441 [PMID:23627352] |
| Dihydrofolate reductase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075051] [UniProtKB: P00376] | ||||||||
| ChEMBL | Inhibition of bovine liver DHFR | B | 7 | pIC50 | 100.7 | nM | IC50 | Bioorg Med Chem (2017) 25: 5396-5406 [PMID:28789907] |
| ChEMBL | Inhibition of bovine liver DHFR pre-incubated 2 mins before dihydrofolic acid substrate addition and measured over 10 mins in presence of NADPH | B | 7 | pIC50 | 100.7 | nM | IC50 | Bioorg Med Chem (2017) 25: 4064-4075 [PMID:28634040] |
| dihydrofolate reductase/Dihydrofolate reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2363] [GtoPdb: 2603] [UniProtKB: Q920D2] | ||||||||
| ChEMBL | Inhibitory activity against dihydrofolate reductase in rat. | B | 5.64 | pIC50 | 2300 | nM | IC50 | J Med Chem (1995) 38: 4739-4759 [PMID:7490723] |
| ChEMBL | Inhibition of rat liver Dihydrofolate Reductase | B | 5.64 | pIC50 | 2300 | nM | IC50 | J Med Chem (1997) 40: 3694-3699 [PMID:9357537] |
| ChEMBL | In vitro inhibitory concentration against rat liver dihydrofolate reductase | B | 5.64 | pIC50 | 2300 | nM | IC50 | J Med Chem (1997) 40: 1886-1893 [PMID:9191966] |
| ChEMBL | Inhibition of Dihydrofolate reductase (DHFR) of in rat liver | B | 5.64 | pIC50 | 2300 | nM | IC50 | J Med Chem (1994) 37: 4522-4528 [PMID:7799402] |
| ChEMBL | Inhibitory activity against rat liver dihydrofolate reductase | B | 5.64 | pIC50 | 2300 | nM | IC50 | J Med Chem (1996) 39: 1271-1280 [PMID:8632434] |
| ChEMBL | Inhibitory activity against rat liver Dihydrofolate reductase | B | 5.64 | pIC50 | 2300 | nM | IC50 | J Med Chem (1995) 38: 745-752 [PMID:7877140] |
| ChEMBL | Inhibitory activity against dihydrofolate reductase DHFR in rat liver | B | 5.64 | pIC50 | 2300 | nM | IC50 | J Med Chem (2001) 44: 2555-2564 [PMID:11472209] |
| ChEMBL | Compound was tested for inhibition activity against rat liver lipophilic Dihydrofolate reductase (DHFR). | B | 5.82 | pIC50 | 1500 | nM | IC50 | J Med Chem (1998) 41: 913-918 [PMID:9526565] |
| ChEMBL | Inhibition of rat liver DHFR | B | 5.82 | pIC50 | 1500 | nM | IC50 | J Med Chem (2013) 56: 4422-4441 [PMID:23627352] |
| ChEMBL | In vitro inhibitory concentration against rat liver dihydrofolate reductase | B | 5.85 | pIC50 | 1400 | nM | IC50 | J Med Chem (1989) 32: 2468-2474 [PMID:2810335] |
| Multidrug and toxin extrusion in Human [GtoPdb: 1216] [UniProtKB: Q96FL8] | ||||||||
| GtoPdb | - | - | 7.1 | pKi | 77 | nM | Ki | J Pharmacol Exp Ther (2010) 333: 341-50 [PMID:20065018] |
| Multidrug and toxin extrusion/Multidrug and toxin extrusion protein 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3091264] [GtoPdb: 1216] [UniProtKB: Q8K0H1] | ||||||||
| ChEMBL | Inhibition of mouse Mate1 transfected in HEK293 cells assessed as uptake of [14C]-TEA preincubated for 15 mins by liquid scintillation counting analysis | B | 6.84 | pKi | 145 | nM | Ki | Bioorg Med Chem (2013) 21: 7584-7590 [PMID:24238901] |
| Plasmodium berghei (target type: ORGANISM) [ChEMBL: CHEMBL612653] | ||||||||
| ChEMBL | HARVARD: Inhibition of liver stage Plasmodium berghei infection in HepG2 cells | F | 8.33 | pIC50 | 4.7 | nM | IC50 | Proc Natl Acad Sci U S A (2012) 109: 8511-8516 [PMID:22586124] |
| Plasmodium cynomolgi (target type: ORGANISM) [ChEMBL: CHEMBL613883] | ||||||||
| ChEMBL | Antimalarial activity against liver stages of Plasmodium cynomolgi infected in human HepG2 cells assessed as growth inhibition of hepatic parasite after 3 days | F | 5.99 | pIC50 | 1030 | nM | IC50 | J Med Chem (2012) 55: 995-1012 [PMID:22122518] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum V1/S harboring DHFR IRNL haplotype N51I/C59R/S108N/I164L quadruple mutant | F | 4 | pIC50 | >100000 | nM | IC50 | ACS Med Chem Lett (2018) 9: 1235-1240 [PMID:30613332] |
| ChEMBL | Antimalarial activity against pyrimethamine-resistant Plasmodium falciparum V1/S expressing Dihydrofolate reductase N51I/C59R/S108N/I164L mutant infected in human erythrocytes assessed as reduction in [3H]-hypoxanthine incorporation pretreated for 18 hrs followed by [3H]-hypoxanthine addition measured after 24 hrs by liquid scintillation counting method | F | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem (2019) 27: 115158-115158 [PMID:31685330] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum VS/1 expressing DHFR quadruple mutation by [3H]-hypoxanthine incorporation assay | F | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 2829-2843 [PMID:23587422] |
| ChEMBL | Antimicrobial activity against Plasmodium falciparum | F | 4 | pIC50 | 100000 | nM | IC50 | Bioorg Med Chem (2010) 18: 2225-2231 [PMID:20185316] |
| ChEMBL | Antimalarial activity against drug-resistant Plasmodium falciparum Dd2 | F | 4.07 | pIC50 | 85000 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 127037-127037 [PMID:32081449] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum W2 harboring DHFR IRNI haplotype N51I/C59R/S108N triple mutant | F | 4.13 | pIC50 | 73500 | nM | IC50 | ACS Med Chem Lett (2018) 9: 1235-1240 [PMID:30613332] |
| ChEMBL | Antiplasmodial activity against asexual erythrocytic stage of chloroquine-resistant Plasmodium falciparum Dd2 assessed as parasite growth inhibition after 48 hrs by lactate dehydrogenase assay | F | 4.22 | pIC50 | 60700 | nM | IC50 | Eur J Med Chem (2014) 76: 470-481 [PMID:24602791] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum CSL-2 harboring DHFR NRNL haplotype C59R/S108N/I164L triple mutant | F | 4.38 | pIC50 | 42000 | nM | IC50 | ACS Med Chem Lett (2018) 9: 1235-1240 [PMID:30613332] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum Dd2 assessed as inhibition of [3H]hypoxanthine incorporation incubated for 24 hrs prior to [3H]hypoxanthine addition measured after 24 hrs by beta scintillation counting | F | 4.4 | pIC50 | >40000 | nM | IC50 | ACS Med Chem Lett (2012) 3: 373-377 [PMID:24900481] |
| ChEMBL | Antimalarial activity against synchronous ring stage of Plasmodium falciparum Dd2 assessed as parasite growth inhibition incubated for 72 hrs by Griffith assay based fluorescence analysis | F | 4.4 | pIC50 | >40000 | nM | IC50 | Eur J Med Chem (2021) 221: 113518-113518 [PMID:34058708] |
| ChEMBL | Antiplasmodial activity against multidrug-resistant Plasmodium falciparum K1 infected in human RBC incubated for 18 to 20 hrs by microdilution radioisotope method | F | 4.51 | pIC50 | 31000 | nM | IC50 | J Nat Prod (2016) 79: 978-983 [PMID:26928423] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum K1CB1 harboring DHFR NRNI haplotype C59R/S108N double mutant | F | 4.51 | pIC50 | 30900 | nM | IC50 | ACS Med Chem Lett (2018) 9: 1235-1240 [PMID:30613332] |
| ChEMBL | Antimalarial activity against mefloquine-resistant Plasmodium falciparum W2 after 48 hrs by LDH assay | F | 4.53 | pIC50 | 29500 | nM | IC50 | J Med Chem (2011) 54: 4581-4589 [PMID:21644541] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green based fluorescence assay | F | 4.7 | pIC50 | >20000 | nM | IC50 | Science (2010) 329: 1175-1180 [PMID:20813948] |
| ChEMBL | Antimalarial activity against NITD609-resistant Plasmodium falciparum Dd2 Clone1 bearing P-type ATPase4 I398F and P990R mutations after 72 hrs by SYBR green based fluorescence assay | F | 4.7 | pIC50 | >20000 | nM | IC50 | Science (2010) 329: 1175-1180 [PMID:20813948] |
| ChEMBL | Antimalarial activity against NITD609-resistant Plasmodium falciparum Dd2 Clone2 bearing P-type ATPase4 T418N and P990R mutations after 72 hrs by SYBR green based fluorescence assay | F | 4.7 | pIC50 | >20000 | nM | IC50 | Science (2010) 329: 1175-1180 [PMID:20813948] |
| ChEMBL | Antimalarial activity against NITD609-resistant Plasmodium falciparum Dd2 Clone3 bearing P-type ATPase4 D1247Y mutations after 72 hrs by SYBR green based fluorescence assay | F | 4.7 | pIC50 | >20000 | nM | IC50 | Science (2010) 329: 1175-1180 [PMID:20813948] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum V1/S infected in human erythrocytes assessed as reduction in [3H]-hypoxanthine incorporation preincubated for 24 hrs followed by [3H]-hypoxanthine addition measured after 24 hrs by scintillation counting method | F | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (2017) 60: 5889-5908 [PMID:28635296] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum Dd2 infected in human erythrocytes assessed as reduction in [3H]-hypoxanthine incorporation preincubated for 24 hrs followed by [3H]-hypoxanthine addition measured after 24 hrs by scintillation counting method | F | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (2017) 60: 5889-5908 [PMID:28635296] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum TM90C2B infected in human erythrocytes assessed as reduction in [3H]-hypoxanthine incorporation preincubated for 24 hrs followed by [3H]-hypoxanthine addition measured after 24 hrs by scintillation counting method | F | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (2017) 60: 5889-5908 [PMID:28635296] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum TM90C2A infected in human erythrocytes assessed as reduction in [3H]-hypoxanthine incorporation preincubated for 24 hrs followed by [3H]-hypoxanthine addition measured after 24 hrs by scintillation counting method | F | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (2017) 60: 5889-5908 [PMID:28635296] |
| ChEMBL | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium falciparum W2 assessed as inhibition of parasite growth | F | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (2015) 58: 4573-4580 [PMID:25906200] |
| ChEMBL | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium falciparum V1/S assessed as inhibition of parasite growth | F | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (2015) 58: 4573-4580 [PMID:25906200] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum W2 harboring mutations conferring drug-resistance by SYBR-green based assay | F | 4.81 | pIC50 | 15379.7 | nM | IC50 | J Med Chem (2014) 57: 6642-6652 [PMID:25007124] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR I method | F | 4.81 | pIC50 | 15379.7 | nM | IC50 | J Med Chem (2014) 57: 5702-5713 [PMID:24914738] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum Dd2 harboring mutations conferring drug-resistance by SYBR-green based assay | F | 4.86 | pIC50 | 13838.6 | nM | IC50 | J Med Chem (2014) 57: 6642-6652 [PMID:25007124] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR I method | F | 4.86 | pIC50 | 13838.59 | nM | IC50 | J Med Chem (2014) 57: 5702-5713 [PMID:24914738] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR I method | F | 5 | pIC50 | 10041.72 | nM | IC50 | J Med Chem (2014) 57: 5702-5713 [PMID:24914738] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum 7G8 harboring mutations conferring drug-resistance by SYBR-green based assay | F | 5 | pIC50 | 10041.7 | nM | IC50 | J Med Chem (2014) 57: 6642-6652 [PMID:25007124] |
| ChEMBL | Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 | F | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2020) 188: 111983-111983 [PMID:31911292] |
| ChEMBL | Antimalarial activity against mid-ring stage of chloroquine-resistant Plasmodium falciparum Dd2 infected in human O-positive erythrocytes after 72 hrs by SYBR Green I dye-based fluorescence assay | F | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem (2017) 25: 6467-6478 [PMID:29111368] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum W2 infected in human erythrocytes assessed as decrease in parasitemia after 72 hrs | F | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2011) 54: 5116-5130 [PMID:21644570] |
| ChEMBL | DNDI: Malaria in Vitro, 72 hour | F | 5.01 | pIC50 | 9850 | nM | IC50 | Antiprotozoal Activity Profiling of Approved Drugs: A Starting Point toward Drug Repositioning |
| ChEMBL | Antimalarial activity against pyrimethamine-resistant Plasmodium falciparum V1S expressing DHFR quadruple mutant with point mutations at codons 108, 51, 59 and 164 gene by [3H]hypoxanthine incorporation assay | F | 5.16 | pIC50 | 6929.14 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 3793-3798 [PMID:19528269] |
| ChEMBL | Antiplasmodial activity against multidrug-resistant Plasmodium falciparum VS/1 by [3H]hypoxanthine incorporation assay | F | 5.3 | pIC50 | 5000 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 3131-3134 [PMID:19364853] |
| ChEMBL | Antiplasmodial activity against chloroquine/cycloguanil/pyrimethamine-resistant blood stage Plasmodium falciparum K1 by SYBR green 1 staining based fluorescence assay | F | 5.41 | pIC50 | 3900 | nM | IC50 | J Nat Prod (2018) 81: 188-202 [PMID:29297684] |
| ChEMBL | Antimalarial activity against pyrimethamine-resistant Plasmodium falciparum V1/S harboring S108N, N51I, C59R, I164L mutation in DHFR assessed as decrease in parasitaemia | F | 5.43 | pIC50 | 3690.79 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 2603-2610 [PMID:20350951] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum isolate Kil-164 expressing DHFR Ser108Asn, Asn51Ile, Cys59Arg and Ile164Leu quadruple mutant by [3H]hypoxanthine incorporation assay | F | 5.43 | pIC50 | 3690.79 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 3793-3798 [PMID:19528269] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum HB3 infected in human erythrocytes assessed as reduction in [3H]-hypoxanthine incorporation preincubated for 24 hrs followed by [3H]-hypoxanthine addition measured after 24 hrs by scintillation counting method | F | 5.47 | pIC50 | 3381 | nM | IC50 | J Med Chem (2017) 60: 5889-5908 [PMID:28635296] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum harboring K1 allele group of msp1, 3D7 allele group of msp2 gene and 94 bp of 7A11, 196bp of C4M79 and 336bp of C4M69 locus measured on day 23 by [3H]hypoxanthine incorporation assay | F | 5.6 | pIC50 | 2512 | nM | IC50 | Antimicrob Agents Chemother (2008) 52: 2283-2284 [PMID:18411319] |
| ChEMBL | Inhibitory activity against Plasmodium falciparum Dd2 in erythrocytes | F | 5.6 | pIC50 | 2500 | nM | IC50 | Bioorg Med Chem Lett (2001) 11: 423-424 [PMID:11212126] |
| ChEMBL | Inhibitory concentration against multidrug-resistant Plasmodium falciparum Dd2. | F | 5.6 | pIC50 | 2500 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 2681-2683 [PMID:12217353] |
| ChEMBL | Anti-malarial activity against Plasmodium falciparum Dd2 | F | 5.6 | pIC50 | 2500 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 1539-1541 [PMID:12699750] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum Dd2 in erythrocytes | F | 5.6 | pIC50 | 2500 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 543-545 [PMID:11844668] |
| ChEMBL | Inhibition against Plasmodium falciparum Dd2 in erythrocytes in semiautomated micro dilution assay | F | 5.6 | pIC50 | 2500 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 2159-2161 [PMID:12798326] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum HB3 | F | 5.94 | pIC50 | 1146 | nM | IC50 | J Med Chem (2011) 54: 4581-4589 [PMID:21644541] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum | F | 6 | pIC50 | 1005 | nM | IC50 | Bioorg Med Chem (2017) 25: 5396-5406 [PMID:28789907] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum ring stage forms after 48 hrs | F | 6 | pIC50 | 1005 | nM | IC50 | Bioorg Med Chem (2017) 25: 4064-4075 [PMID:28634040] |
| ChEMBL | Antimalarial activity against pyrimethamine-resistant Plasmodium falciparum clinical isolate harboring S108N, N51I, C59R mutation in DHFR assessed as decrease in parasitaemia | F | 6.11 | pIC50 | 778.28 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 2603-2610 [PMID:20350951] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum Kenyan isolates expressing DHFR Ser108Asn, Asn51Ile and Cys59Arg triple mutant by [3H]hypoxanthine incorporation assay | F | 6.11 | pIC50 | 778.28 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 3793-3798 [PMID:19528269] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum Kenyan isolates by [3H]hypoxanthine incorporation assay | F | 6.13 | pIC50 | 733.26 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 3793-3798 [PMID:19528269] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium vivax DHFR F57L, S58R, T61M, S117T mutant infected in RBCs assessed as inhibition of [3H]hypoxanthine incorporation after 72 hrs | F | 6.33 | pIC50 | 467.34 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 3927-3932 [PMID:20566761] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum Kenyan isolates expressing DHFR Ser108Asn and Cys59Arg or Ser108Asn and Asn51Ile double mutant by [3H]hypoxanthine incorporation assay | F | 6.43 | pIC50 | 371 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 3793-3798 [PMID:19528269] |
| ChEMBL | Antimalarial activity against pyrimethamine-resistant Plasmodium falciparum clinical isolate harboring S108N, C59R mutation in DHFR assessed as decrease in parasitaemia | F | 6.43 | pIC50 | 371 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 2603-2610 [PMID:20350951] |
| ChEMBL | Antimalarial activity against pyrimethamine-resistant Plasmodium falciparum clinical isolate harboring S108N, N51I mutation in DHFR assessed as decrease in parasitaemia | F | 6.43 | pIC50 | 371 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 2603-2610 [PMID:20350951] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum FCR3 infected in human erythrocytes by Giemsa staining analysis | F | 6.6 | pIC50 | 250.03 | nM | IC50 | Bioorg Med Chem (2019) 27: 3574-3586 [PMID:31272837] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum TM91c235 harboring DHFR F57L, S58R, T61M, S117T mutant infected in RBCs assessed as inhibition of [3H]hypoxanthine incorporation after 72 hrs | F | 6.85 | pIC50 | 142.61 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 3927-3932 [PMID:20566761] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum Dd2 incubated for 72 hours by DAPI-staining based confocal imaging analysis | F | 6.92 | pIC50 | >120 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 3326-3329 [PMID:27212070] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum TM4/8.2 infected in human erythrocytes assessed as reduction in [3H]-hypoxanthine incorporation pretreated for 24 hrs followed by [3H]-hypoxanthine addition measured after 18 hrs by liquid scintillation counting method | F | 7.1 | pIC50 | 80 | nM | IC50 | Bioorg Med Chem (2019) 27: 115158-115158 [PMID:31685330] |
| ChEMBL | In vitro antiplasmodial activity (IC50) against Plasmodium falciparum wtTM4/8.2 | F | 7.1 | pIC50 | 80 | nM | IC50 | J Med Chem (2002) 45: 1244-1252 [PMID:11881993] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum TM4/8.2 harboring wild type DHFR NCSI haplotype | F | 7.1 | pIC50 | 80 | nM | IC50 | ACS Med Chem Lett (2018) 9: 1235-1240 [PMID:30613332] |
| ChEMBL | Antiplasmodial activity against chloroquine/antifolate-sensitive Plasmodium falciparum TM4 infected in human RBC incubated for 18 to 20 hrs by microdilution radioisotope method | F | 7.1 | pIC50 | 80 | nM | IC50 | J Nat Prod (2016) 79: 978-983 [PMID:26928423] |
| ChEMBL | Antimalarial activity against chloroquine-susceptible Plasmodium falciparum D10 asexual erythrocyte forms after 48 hrs by parasite LDH assay | F | 7.15 | pIC50 | 70 | nM | IC50 | Bioorg Med Chem (2013) 21: 269-277 [PMID:23168082] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum 3D7A infected in red blood cells assessed as inhibition of parasite growth after 24 hrs by [3H]hypoxanthine incorporation assay | F | 7.17 | pIC50 | 68 | nM | IC50 | J Med Chem (2015) 58: 4573-4580 [PMID:25906200] |
| ChEMBL | Antiplasmodial activity against wild type Plasmodium falciparum TM4 by [3H]-hypoxanthine incorporation assay | F | 7.24 | pIC50 | 58 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 2829-2843 [PMID:23587422] |
| ChEMBL | Growth inhibition of Plasmodium falciparum HB3 ring stage in infected erythrocytes after 72 hrs in DAPI fluorimetry | F | 7.3 | pIC50 | 49.88 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 716-723 [PMID:17116676] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum NF54 infected in human erythrocytes assessed as reduction in [3H]-hypoxanthine incorporation preincubated for 24 hrs followed by [3H]-hypoxanthine addition measured after 24 hrs by scintillation counting method | F | 7.35 | pIC50 | 45 | nM | IC50 | J Med Chem (2017) 60: 5889-5908 [PMID:28635296] |
| ChEMBL | Growth inhibition of Plasmodium falciparum Dd2 ring stage infected erythrocytes after 72 hrs by DAPI fluorimetry | F | 7.36 | pIC50 | 44.1 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 716-723 [PMID:17116676] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum 3D7 assessed as reduction in parasite growth measured after 72 hrs by Monash assay based fluorescence analysis | F | 7.36 | pIC50 | 44 | nM | IC50 | Eur J Med Chem (2021) 221: 113518-113518 [PMID:34058708] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum T9/94 infected in human erythrocytes assessed as reduction in [3H]-hypoxanthine incorporation preincubated for 24 hrs followed by [3H]-hypoxanthine addition measured after 24 hrs by scintillation counting method | F | 7.42 | pIC50 | 38 | nM | IC50 | J Med Chem (2017) 60: 5889-5908 [PMID:28635296] |
| ChEMBL | OSM: Inhibition of Plasmodium falciparum 3D7 growth using a SYBR green I fluorescence based assay. GSK Tres Cantos. | F | 7.48 | pIC50 | 33.2 | nM | IC50 | Open Source Malaria Deposition 1. http://malaria.ourexperiment.org |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7 after 3 days by SYBR green1 dye based assay | F | 7.48 | pIC50 | 33 | nM | IC50 | Medchemcomm (2017) 8: 1069-1092 [PMID:29308121] |
| ChEMBL | Inhibitory activity against Plasmodium falciparum Dd2 in erythrocytes by semiautomated micro dilution | F | 7.52 | pIC50 | 30 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 361-363 [PMID:12565929] |
| ChEMBL | Antiplasmodial activity against drug-sensitive blood stage Plasmodium falciparum 3D7 by SYBR green 1 staining based fluorescence assay | F | 7.52 | pIC50 | 30 | nM | IC50 | J Nat Prod (2018) 81: 188-202 [PMID:29297684] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythrocytes assessed as decrease in parasitemia after 72 hrs | F | 7.54 | pIC50 | 29 | nM | IC50 | J Med Chem (2011) 54: 5116-5130 [PMID:21644570] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7A assessed as inhibition of [3H]hypoxanthine incorporation incubated for 24 hrs prior to [3H]hypoxanthine addition measured after 24 hrs by beta scintillation counting | F | 7.7 | pIC50 | 20 | nM | IC50 | ACS Med Chem Lett (2012) 3: 373-377 [PMID:24900481] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum NF54 | F | 7.72 | pIC50 | 19 | nM | IC50 | J Med Chem (2011) 54: 4581-4589 [PMID:21644541] |
| ChEMBL | Antimalarial activity against schizont stage of atovaquone-resistant Plasmodium falciparum Tm90C2b infected in erythrocytes assessed as inhibition of [3H]hypoxanthine incorporation after 48 hrs by scintillation counting analysis | F | 7.84 | pIC50 | 14.6 | nM | IC50 | Medchemcomm (2011) 2: 430-435 |
| ChEMBL | Antimalarial activity against asexual stage of Plasmodium falciparum 3D7 after 72 hrs by image-based HTS assay | F | 7.85 | pIC50 | 14 | nM | IC50 | J Med Chem (2013) 56: 7727-7740 [PMID:23927763] |
| ChEMBL | Anti-plasmodial activity against chloroquine resistant Plasmodium falciparum RKL9 infected in human erythrocytes after 24 hrs by Giemsa staining-based method | F | 7.9 | pIC50 | 12.46 | nM | IC50 | Eur J Med Chem (2019) 163: 353-366 [PMID:30530172] |
| ChEMBL | Antimalarial activity against erythrocytic stage of Plasmodium falciparum 3D7 incubated for 50 hrs | F | 7.96 | pIC50 | 11 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 127037-127037 [PMID:32081449] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum SB1-A6 harboring mutations conferring drug-resistance by SYBR-green based assay | F | 7.96 | pIC50 | 10.9 | nM | IC50 | J Med Chem (2014) 57: 6642-6652 [PMID:25007124] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum SB1 after 72 hrs by SYBR I method | F | 7.96 | pIC50 | 10.85 | nM | IC50 | J Med Chem (2014) 57: 5702-5713 [PMID:24914738] |
| ChEMBL | Antimalarial activity against schizont stage of chloroquine-resistant Plasmodium falciparum W2 infected in erythrocytes assessed as inhibition of [3H]hypoxanthine incorporation after 48 hrs by scintillation counting analysis | F | 7.98 | pIC50 | 10.4 | nM | IC50 | Medchemcomm (2011) 2: 430-435 |
| ChEMBL | In vitro inhibition of Plasmodium falciparum K1 (S108N + C59R) culture | F | 7.99 | pIC50 | 10.2 | nM | IC50 | J Med Chem (1998) 41: 1367-1370 [PMID:9554869] |
| ChEMBL | Growth inhibition of Plasmodium falciparum 3D7 ring stage in infected erythrocytes after 72 hrs in DAPI fluorimetry | F | 8 | pIC50 | 10.01 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 716-723 [PMID:17116676] |
| ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D6 infected in red blood cells after 72 hrs by parasitic LDH assay | F | 8 | pIC50 | 10 | nM | IC50 | ACS Med Chem Lett (2012) 3: 555-559 [PMID:24900509] |
| ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D6 infected in red blood cells after 72 hrs by Malstat reagent based LDH assay | F | 8 | pIC50 | 10 | nM | IC50 | Eur J Med Chem (2017) 131: 126-140 [PMID:28315598] |
| ChEMBL | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 infected in red blood cells after 72 hrs by Malstat reagent based LDH assay | F | 8.05 | pIC50 | 9 | nM | IC50 | Eur J Med Chem (2017) 129: 175-185 [PMID:28222317] |
| ChEMBL | OSM: Inhibition of Plasmodium falciparum 3D7 growth. IC50 values determined from 21 point dose response curves. Avery Group Griffith. | F | 8.05 | pIC50 | 8.95 | nM | IC50 | Open Source Malaria Deposition 1. http://malaria.ourexperiment.org |
| ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 measured after 72 hrs by DAPI staining based high throughput screening assay | F | 8.1 | pIC50 | 8 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 2602-2607 [PMID:28400231] |
| ChEMBL | Antiplasmodial activity against drug-sensitive Plasmodium falciparum 3D7 ring stage infected in human erythrocytes after 72 hrs by DAPI staining based method | F | 8.1 | pIC50 | 8 | nM | IC50 | J Nat Prod (2018) 81: 1588-1597 [PMID:29969262] |
| ChEMBL | Antiplasmodial activity against drug-sensitive Plasmodium falciparum 3D7 ring stage forms assessed as inhibition of parasite growth after 72 hrs by DAPI staining-based confocal microscopic analysis | F | 8.11 | pIC50 | 7.7 | nM | IC50 | J Nat Prod (2019) 82: 1019-1023 [PMID:30865443] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium vivax DHFR S58R and S117N mutant infected in RBCs assessed as inhibition of [3H]hypoxanthine incorporation after 72 hrs | F | 8.2 | pIC50 | 6.26 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 3927-3932 [PMID:20566761] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7 infected in human erythrocyte assessed as intraerythrocytic growth inhibition incubated for 72 hrs by DAPI-staining based imaging analysis | F | 8.22 | pIC50 | 6 | nM | IC50 | J Med Chem (2021) 64: 12582-12602 [PMID:34437804] |
| ChEMBL | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 after 72 hrs by DAPI staining based confocal microplate imaging method | F | 8.22 | pIC50 | 6 | nM | IC50 | J Nat Prod (2017) 80: 3211-3217 [PMID:29236492] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum 3D7 after 72 hrs by DAPI staining-based confocal imaging analysis | F | 8.29 | pIC50 | 5.1 | nM | IC50 | J Med Chem (2019) 62: 622-640 [PMID:30537832] |
| ChEMBL | Antimalarial activity against synchronous ring stage of Plasmodium falciparum 3D7 assessed as parasite growth inhibition incubated for 72 hrs by Griffith assay based fluorescence analysis | F | 8.33 | pIC50 | 4.7 | nM | IC50 | Eur J Med Chem (2021) 221: 113518-113518 [PMID:34058708] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum 3D7 asexual forms incubated for 72 hrs by luminescence method | F | 8.36 | pIC50 | 4.35 | nM | IC50 | Eur J Med Chem (2020) 188: 111983-111983 [PMID:31911292] |
| ChEMBL | Antimalarial activity against chloroquine-sensitive plasmodium falciparum 3D7 infected in human erythrocytes assessed as parasite growth inhibition measured after 72 hrs by SYBR green dye based fluorescence analysis | F | 8.4 | pIC50 | 4 | nM | IC50 | Bioorg Med Chem (2021) 46: 116348-116348 [PMID:34479064] |
| ChEMBL | Antimalarial activity against pyrimethamine-sensitive Plasmodium falciparum 3D7 expressing wild type DHFR by [3H]hypoxanthine incorporation assay | F | 8.41 | pIC50 | 3.9 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 3793-3798 [PMID:19528269] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium vivax DHFR F57L and S117N mutant infected in RBCs assessed as inhibition of [3H]hypoxanthine incorporation after 72 hrs | F | 8.44 | pIC50 | 3.66 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 3927-3932 [PMID:20566761] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum 3D7 in erythrocytes | F | 8.52 | pIC50 | 3 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 543-545 [PMID:11844668] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium vivax DHFR S58R, T61M and S117N mutant infected in RBCs assessed as inhibition of [3H]hypoxanthine incorporation after 72 hrs | F | 8.55 | pIC50 | 2.81 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 3927-3932 [PMID:20566761] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium vivax DHFR S117N mutant infected in RBCs assessed as inhibition of [3H]hypoxanthine incorporation after 72 hrs | F | 8.6 | pIC50 | 2.5 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 3927-3932 [PMID:20566761] |
| ChEMBL | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 assessed as reduction in parasite rowth incubated for 72 hrs by DAPI staining based fluorescence assay | F | 8.6 | pIC50 | 2.5 | nM | IC50 | J Nat Prod (2020) 83: 316-322 [PMID:32067457] |
| ChEMBL | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in human RBC after 72 hrs by DAPI staining based confocal microscopic method | F | 8.6 | pIC50 | 2.5 | nM | IC50 | J Nat Prod (2017) 80: 114-125 [PMID:28001067] |
| ChEMBL | Antimalarial activity against schizont stage of chloroquine-resistant Plasmodium falciparum W2 infected in erythrocytes assessed as inhibition of [3H]hypoxanthine incorporation after 96 hrs by scintillation counting analysis | F | 8.64 | pIC50 | 2.3 | nM | IC50 | Medchemcomm (2011) 2: 430-435 |
| ChEMBL | Antimalarial activity against schizont stage of atovaquone-resistant Plasmodium falciparum Tm90C2b infected in erythrocytes assessed as inhibition of [3H]hypoxanthine incorporation after 96 hrs by scintillation counting analysis | F | 8.85 | pIC50 | 1.4 | nM | IC50 | Medchemcomm (2011) 2: 430-435 |
| ChEMBL | In vitro inhibition of Plasmodium falciparum HB3 (S108N) culture | F | 8.92 | pIC50 | 1.2 | nM | IC50 | J Med Chem (1998) 41: 1367-1370 [PMID:9554869] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium vivax wild type DHFR infected in RBCs assessed as inhibition of [3H]hypoxanthine incorporation after 72 hrs | F | 10.26 | pIC50 | 0.06 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 3927-3932 [PMID:20566761] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum D6 infected in RBCs assessed as inhibition of [3H]hypoxanthine incorporation after 72 hrs | F | 10.55 | pIC50 | 0.03 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 3927-3932 [PMID:20566761] |
| ChEMBL | Antiplasmodial activity against asexual form of Plasmodium falciparum NF54 assessed as reduction in female gametocytes activation preincubated for 48 hrs followed by gametocytes activation and measured after 24 hrs by fluorescence based automated inverted microscopic analysis | F | 5 | pEC50 | >10000 | nM | EC50 | J Med Chem (2019) 62: 9217-9235 [PMID:31566384] |
| ChEMBL | Antiplasmodial activity against asexual form of Plasmodium falciparum NF54 assessed as reduction in male gametocytes activation preincubated for 48 hrs followed by gametocytes activation and measured after 24 hrs by fluorescence based automated inverted microscopic analysis | F | 5 | pEC50 | >10000 | nM | EC50 | J Med Chem (2019) 62: 9217-9235 [PMID:31566384] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7A erythrocytic stage assessed as reduction in [3H]hypoxanthine incorporation preincubated for 24 hrs followed by [3H]hypoxanthine addition and measured after 24 hrs by microbeta scintillation counting method | F | 7 | pEC50 | 100 | nM | EC50 | J Med Chem (2019) 62: 9217-9235 [PMID:31566384] |
| ChEMBL | Anti-plasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in erythrocytes after 72 hrs by SYBR green dye based fluorescence assay | F | 7.46 | pEC50 | 35 | nM | EC50 | ACS Med Chem Lett (2019) 10: 137-141 [PMID:30655961] |
| ChEMBL | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay | F | 7.5 | pEC50 | 31.9 | nM | EC50 | Proc Natl Acad Sci U S A (2008) 105: 9059-9064 [PMID:18579783] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum 3D7 infected in human A positive erythrocytes by [3H]hypoxanthine uptake assay in presence of serum in medium | F | 7.64 | pEC50 | 23 | nM | EC50 | J Med Chem (2011) 54: 3935-3949 [PMID:21517059] |
| ChEMBL | Antimalarial activity against chloroquine-sensitive synchronized ring stage of Plasmodium falciparum 3D7 incubated for 48 to 52 hrs by SYBR green 1 dye based assay | F | 7.74 | pEC50 | 18 | nM | EC50 | J Med Chem (2020) 63: 9300-9315 [PMID:32787140] |
| ChEMBL | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay | F | 7.84 | pEC50 | 14.56 | nM | EC50 | Proc Natl Acad Sci U S A (2008) 105: 9059-9064 [PMID:18579783] |
| Plasmodium falciparum 3D7 (target type: ORGANISM) [ChEMBL: CHEMBL2366922] | ||||||||
| ChEMBL | Antimalarial activity against schizont stage of chloroquine-susceptible Plasmodium falciparum 3D7 infected in erythrocytes assessed as inhibition of [3H]hypoxanthine incorporation after 48 hrs by scintillation counting analysis | F | 7.88 | pIC50 | 13.3 | nM | IC50 | Medchemcomm (2011) 2: 430-435 |
| ChEMBL | Antimalarial activity against Plasmodium falciparum 3D7 incubated for 72 hours by DAPI-staining based confocal imaging analysis | F | 8.07 | pIC50 | 8.45 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 3326-3329 [PMID:27212070] |
| ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 assessed as inhibition of parasite growth after 72 hrs by DAPI staining-based confocal microscopic analysis | F | 8.6 | pIC50 | 2.5 | nM | IC50 | J Nat Prod (2015) 78: 2932-2939 [PMID:26651537] |
| ChEMBL | Antimalarial activity against schizont stage of chloroquine-susceptible Plasmodium falciparum 3D7 infected in erythrocytes assessed as inhibition of [3H]hypoxanthine incorporation after 96 hrs by scintillation counting analysis | F | 8.68 | pIC50 | 2.1 | nM | IC50 | Medchemcomm (2011) 2: 430-435 |
| Plasmodium falciparum D6 (target type: ORGANISM) [ChEMBL: CHEMBL2367107] | ||||||||
| ChEMBL | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 assessed as inhibition of parasite growth after 72 hrs by parasite LDH release assay | F | 8 | pIC50 | 10 | nM | IC50 | Eur J Med Chem (2015) 89: 490-502 [PMID:25462261] |
| Plasmodium falciparum (isolate K1 / Thailand) in Plasmodium falciparum K1 (target type: ORGANISM) [ChEMBL: CHEMBL612856] | ||||||||
| ChEMBL | Antimalarial activity against Plasmodium falciparum K1 infected in human erythrocytes assessed as reduction in [3H]-hypoxanthine incorporation preincubated for 24 hrs followed by [3H]-hypoxanthine addition measured after 24 hrs by scintillation counting method | F | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (2017) 60: 5889-5908 [PMID:28635296] |
| ChEMBL | OSM: Inhibition of Plasmodium falciparum K1 growth. IC50 values determined from 21 point dose response curves. Avery Group Griffith. | F | 4.92 | pIC50 | 11900 | nM | IC50 | Open Source Malaria Deposition 1. http://malaria.ourexperiment.org |
| ChEMBL | Antimalarial activity against Plasmodium falciparum K1 | F | 5 | pIC50 | 9900 | nM | IC50 | J Med Chem (2011) 54: 4581-4589 [PMID:21644541] |
| ChEMBL | Antiplasmodial activity against multidrug-resistant Plasmodium falciparum K1 by SYBR Green-based method | F | 5.07 | pIC50 | 8600 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 952-955 [PMID:25599834] |
| ChEMBL | Antimalarial activity against multidrug-resistant Plasmodium falciparum K1 by SYBR green-based assay | F | 5.07 | pIC50 | 8600 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1100-1103 [PMID:25650255] |
| ChEMBL | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 after 72 hrs by SYBR I method | F | 5.07 | pIC50 | 8558.42 | nM | IC50 | J Med Chem (2014) 57: 5702-5713 [PMID:24914738] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum K1 by SYBR-green based assay | F | 5.07 | pIC50 | 8558.4 | nM | IC50 | J Med Chem (2014) 57: 6642-6652 [PMID:25007124] |
| Plasmodium falciparum NF54 (target type: ORGANISM) [ChEMBL: CHEMBL2367131] | ||||||||
| ChEMBL | Antiplasmodial activity against asexual erythrocytic stage of chloroquine-sensitive Plasmodium falciparum NF54 assessed as parasite growth inhibition after 48 hrs by lactate dehydrogenase assay | F | 4.48 | pIC50 | 33000 | nM | IC50 | Eur J Med Chem (2014) 76: 470-481 [PMID:24602791] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum NF54 by SYBR-green based assay | F | 7.55 | pIC50 | 28.3 | nM | IC50 | J Med Chem (2014) 57: 6642-6652 [PMID:25007124] |
| ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 after 72 hrs by SYBR I method | F | 7.55 | pIC50 | 28.26 | nM | IC50 | J Med Chem (2014) 57: 5702-5713 [PMID:24914738] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum NF54 by SYBR Green-based method | F | 7.55 | pIC50 | 28 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 952-955 [PMID:25599834] |
| ChEMBL | Antimalarial activity against drug-sensitive Plasmodium falciparum NF54 by SYBR green-based assay | F | 7.55 | pIC50 | 28 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1100-1103 [PMID:25650255] |
| Plasmodium yoelii (target type: ORGANISM) [ChEMBL: CHEMBL612889] | ||||||||
| ChEMBL | Antimalarial activity against sporozoite stage of Plasmodium yoelii assessed as invasion of human HepG2 cells expressing CD81 incubated for 2 hrs prior to inoculation measured after 1 hr by immunofluorescence assay in presence of penicillin/streptomycin | F | 6 | pIC50 | <1000 | nM | IC50 | J Med Chem (2013) 56: 7761-7771 [PMID:23927658] |
| ChEMBL | NOVARTIS: Antimalarial liver stage activity measured as reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells by immuno-fluorescence, and median schizont size at 10uM compound concentration | F | 8.67 | pIC50 | 2.15 | nM | IC50 | Science (2011) 334: 1372-1377 [PMID:22096101] |
| Pteridine reductase 1 in Leishmania major (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6194] [UniProtKB: Q01782] | ||||||||
| ChEMBL | Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPH | B | 4.87 | pIC50 | 13600 | nM | IC50 | J Med Chem (2019) 62: 3989-4012 [PMID:30908048] |
| Organic cation transporter 1/Solute carrier family 22 member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245] | ||||||||
| ChEMBL | Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay | B | 4.87 | pIC50 | 13570 | nM | IC50 | J Med Chem (2017) 60: 2685-2696 [PMID:28230985] |
| Organic cation transporter 1/Solute carrier family 22 member 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073664] [GtoPdb: 1019] [UniProtKB: O08966] | ||||||||
| ChEMBL | Inhibition of mouse Oct1 transfected in HEK293 cells assessed as uptake of [14C]-TEA preincubated for 15 mins by liquid scintillation counting analysis | B | 5.44 | pKi | 3600 | nM | Ki | Bioorg Med Chem (2013) 21: 7584-7590 [PMID:24238901] |
| TAAR5/Trace amine-associated receptor 5 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3784908] [GtoPdb: 170] [UniProtKB: Q5QD14] | ||||||||
| ChEMBL | Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay | F | 5 | pEC50 | >10000 | nM | EC50 | Eur J Med Chem (2017) 127: 781-792 [PMID:27823885] |
| MATE2 in Mouse [GtoPdb: 1217] [UniProtKB: Q3V050] | ||||||||
| GtoPdb | - | - | 6.3 | pKi | 460 | nM | Ki | J Pharmacol Exp Ther (2010) 333: 341-50 [PMID:20065018] |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
