Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
ChEMBL ligand: CHEMBL76 (Aralen, Chlorochine, Chloroquine, NSC-187208) |
---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
---|---|---|---|---|---|---|---|---|
α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913] | ||||||||
ChEMBL | Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine | B | 5.36 | pKi | 4365.16 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089] | ||||||||
ChEMBL | Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine | B | 4.5 | pKi | 31622.78 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
α2C-adrenoceptor/Alpha-2c adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1916] [GtoPdb: 27] [UniProtKB: P18825] | ||||||||
ChEMBL | Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine | B | 5 | pKi | 10000 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
Amyloid-beta A4 protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2487] [UniProtKB: P05067] | ||||||||
ChEMBL | Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhibition of amyloid beta (1 to 42 residues) production measured after 24 hrs by ELISA | B | 4.89 | pIC50 | 12800 | nM | IC50 | Bioorg Med Chem (2018) 26: 2151-2164 [PMID:29559198] |
ChEMBL | Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhibition of amyloid beta (1 to 40 residues) production measured after 24 hrs | B | 5.15 | pIC50 | 7000 | nM | IC50 | Bioorg Med Chem (2018) 26: 2151-2164 [PMID:29559198] |
Angiotensin-converting enzyme 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3736] [GtoPdb: 1614] [UniProtKB: Q9BYF1] | ||||||||
ChEMBL | Inhibition of human recombinant ACE2 at 50 uM using (7Mca-Y-V-A- D -A-P- K(Knp) as a flurogenic substrate measured after 10 mins by fluorescence based analysis | B | 5.95 | pIC50 | 1130 | nM | IC50 | J Med Chem (2020) 63: 12256-12274 [PMID:32539378] |
beta-secretase 1/Beta-secretase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817] | ||||||||
ChEMBL | Inhibition of BACE1 in human SH-SY5Y cells harboring wild type APP695 assessed as reduction in amyloid beta (1 to 42) level after 24 hrs by ELISA method | B | 4.9 | pIC50 | 12700 | nM | IC50 | Eur J Med Chem (2018) 159: 104-125 [PMID:30268822] |
ChEMBL | Inhibition of BACE1 in human SH-SY5Y cells harboring wild type APP695 assessed as reduction in amyloid beta (1 to 40) level after 24 hrs by ELISA method | B | 5.15 | pIC50 | 7000 | nM | IC50 | Eur J Med Chem (2018) 159: 104-125 [PMID:30268822] |
CXCR4/C-X-C chemokine receptor type 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2107] [GtoPdb: 71] [UniProtKB: P61073] | ||||||||
ChEMBL | Antagonist activity at CXCR4 receptor in human MIA PaCa-2 cells assessed as reduction in forskolin-stimulated inhibition of cAMP production | B | 5.19 | pEC50 | 6500 | nM | EC50 | Eur J Med Chem (2018) 157: 582-598 [PMID:30125720] |
Dihydrofolate reductase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075051] [UniProtKB: P00376] | ||||||||
ChEMBL | Inhibition of bovine liver DHFR | B | 7.52 | pIC50 | 30.1 | 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 | 7.52 | pIC50 | 30.1 | nM | IC50 | Bioorg Med Chem (2017) 25: 4064-4075 [PMID:28634040] |
Falcipain 2 in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1697672] [UniProtKB: Q9NAW2] | ||||||||
ChEMBL | Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in bacterial growth after 24 hrs by Giemsa staining based assay | B | 6.7 | pIC50 | 200 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 1566-1569 [PMID:29602682] |
Hemozoin in Plasmodium falciparum (target type: MACROMOLECULE) [ChEMBL: CHEMBL613898] | ||||||||
ChEMBL | Inhibition of beta-hematin formation assessed as reduction in hemozoin formation incubated for 16 hrs by NP40 detergent-mediated assay | B | 4.13 | pIC50 | 74000 | nM | IC50 | Eur J Med Chem (2019) 180: 121-133 [PMID:31301563] |
ChEMBL | Inhibition of beta-hematin | B | 4.28 | pIC50 | 53000 | nM | IC50 | J Med Chem (2016) 59: 6512-6530 [PMID:27299916] |
ChEMBL | Inhibition of beta-hematin formation assessed as reduction in hemozoin formation incubated for 5 hrs by NP40 detergent-based assay | B | 4.28 | pIC50 | 53000 | nM | IC50 | Medchemcomm (2019) 10: 450-455 [PMID:31015908] |
ChEMBL | Inhibition of beta-hematin in water/NP40/DMSO solution incubated for 5 to 6hrs by detergent-mediated pyridine-ferrichrome method | B | 4.5 | pIC50 | 31500 | nM | IC50 | J Med Chem (2016) 59: 6512-6530 [PMID:27299916] |
ChEMBL | Inhibition of Beta-hematin in Plasmodium falciparum NF54 assessed as hemozoin formation after 36 hrs by flow cytometry analysis | B | 4.66 | pIC50 | 22000 | nM | IC50 | J Med Chem (2022) 65: 16695-16715 [PMID:36507890] |
ChEMBL | Inhibition of beta-hematin formation assessed as reduction in hemozoin formation incubated for 5 hrs by NP40 detergent-mediated assay | B | 4.68 | pIC50 | 21000 | nM | IC50 | J Med Chem (2020) 63: 13013-13030 [PMID:33103428] |
ChEMBL | Inhibition of Beta-hematin assessed as bis-pyridyl-Fe(III)PPIX complex formation incubated for 5 hrs by NP40 detergent-mediated colorimetric assay | B | 4.72 | pIC50 | 19000 | nM | IC50 | J Med Chem (2021) 64: 2739-2761 [PMID:33620219] |
ChEMBL | Inhibition of beta hematin formation after 5 hrs by NP40 detergent-based assay | B | 4.74 | pIC50 | 18000 | nM | IC50 | J Med Chem (2019) 62: 1022-1035 [PMID:30562027] |
ChEMBL | Inhibition of beta-hematin formation assessed as reduction in hemozoin formation incubated for 20 hrs by NP40 detergent-mediated assay | B | 4.77 | pIC50 | 16900 | nM | IC50 | RSC Med Chem (2020) 11: 85-91 [PMID:33479606] |
ChEMBL | Inhibition of Beta-hematin in Plasmodium falciparum cells assessed as hemozoin formation after 32 hrs by NP40 detergent-mediated assay | B | 4.77 | pIC50 | 16800 | nM | IC50 | Bioorg Med Chem Lett (2021) 54: 128442-128442 [PMID:34763083] |
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
ChEMBL | Inhibition of human ERG expressed in CHO cells | B | 5.12 | pKi | 7500 | nM | Ki | ACS Med Chem Lett (2013) 4: 1037-1041 [PMID:24900603] |
ChEMBL | Inhibition of human ERG | B | 5.6 | pIC50 | 2511.89 | nM | IC50 | Eur J Med Chem (2011) 46: 618-630 [PMID:21185626] |
ChEMBL | Inhibitory concentration against IKr potassium channel | B | 5.6 | pIC50 | 2500 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 4771-4777 [PMID:15324906] |
ChEMBL | Inhibition of human cloned ERG | B | 5.6 | pIC50 | 2500 | nM | IC50 | J Med Chem (2009) 52: 1408-1415 [PMID:19222165] |
ChEMBL | Inhibition of human ERG expressed in HEK293 cells assessed as reduction in tail current at membrane potential of +20 mV | B | 5.6 | pIC50 | 2500 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1390-1393 [PMID:25746816] |
Histidine-rich protein in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1923] [UniProtKB: P05227] | ||||||||
ChEMBL | Inhibition of 1-monooleoyl glycerol (MOG) induced beta-hematin formation | F | 4.12 | pIC50 | 76500 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 3783-3787 [PMID:14552779] |
ChEMBL | Inhibition of beta-hematin formation in Plasmodium falciparum | F | 4.12 | pIC50 | 75000 | nM | IC50 | Bioorg Med Chem Lett (2001) 11: 2075-2077 [PMID:11514142] |
ChEMBL | Inhibition of 1-monooleoyl glycerol induced beta-hematin formation | F | 4.22 | pIC50 | 60000 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 31-35 [PMID:16263280] |
ChEMBL | Inhibition of lipid-induced beta-hematin formation | F | 4.33 | pIC50 | 46300 | nM | IC50 | J Med Chem (2006) 49: 4707-4714 [PMID:16854077] |
ChEMBL | Inhibition of beta-hematin formation | F | 4.42 | pIC50 | 38000 | nM | IC50 | J Med Chem (2002) 45: 4975-4983 [PMID:12408708] |
ChEMBL | Inhibition of beta-hematin formation after 16 hrs | F | 4.81 | pIC50 | 15400 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 2842-2847 [PMID:17562796] |
ChEMBL | Inhibition of hematin polymerization | F | 4.82 | pIC50 | 15000 | nM | IC50 | J Med Chem (1999) 42: 4630-4639 [PMID:10579825] |
ChEMBL | Inhibition of beta-hematin polymerization | B | 6.4 | pIC50 | 400 | nM | IC50 | J Med Chem (2007) 50: 394-398 [PMID:17228883] |
ChEMBL | Inhibitory activity against beta-hematin formation | F | 7.12 | pIC50 | 76.5 | nM | IC50 | J Med Chem (2003) 46: 542-557 [PMID:12570376] |
M1 receptor/Muscarinic acetylcholine receptor M1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229] | ||||||||
ChEMBL | Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB | B | 5.04 | pKi | 9120.11 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
M2 receptor/Muscarinic acetylcholine receptor M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172] | ||||||||
ChEMBL | Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB | B | 5.33 | pKi | 4677.35 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
M3 receptor/Muscarinic acetylcholine receptor M3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL245] [GtoPdb: 15] [UniProtKB: P20309] | ||||||||
ChEMBL | Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB | B | 5.48 | pKi | 3311.31 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
M4 receptor/Muscarinic acetylcholine receptor M4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1821] [GtoPdb: 16] [UniProtKB: P08173] | ||||||||
ChEMBL | Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4) by displacement of 3H-QNB | B | 5.24 | pKi | 5754.4 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
M5 receptor/Muscarinic acetylcholine receptor M5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2035] [GtoPdb: 17] [UniProtKB: P08912] | ||||||||
ChEMBL | Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB | B | 4.66 | pKi | 21877.62 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
Nuclear receptor related 1/Nuclear receptor subfamily 4 group A member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5002] [GtoPdb: 630] [UniProtKB: P43354] | ||||||||
ChEMBL | Agonist activity at Nurr1 ligand binding domain (unknown origin) measured by Gal4-based reporter gene assay | B | 4.3 | pEC50 | 50000 | nM | EC50 | J Med Chem (2022) 65: 9548-9563 [PMID:35797147] |
ChEMBL | Agonist activity at Gal4-fused human Nurr1 LBD expressed in HEK293T cells co-expressing firefly luciferase assessed as luciferase activity incubated for 12 to 14 hrs by hybrid reporter gene assay | B | 4.33 | pEC50 | 47000 | nM | EC50 | J Med Chem (2021) 64: 2659-2668 [PMID:33629841] |
Plasmodium berghei (target type: ORGANISM) [ChEMBL: CHEMBL612653] | ||||||||
ChEMBL | Antimalarial activity against luciferase-expressing Plasmodium berghei ANKA 676m1cl1 sporozoites infected in human HepG2A16 cells measured after 45 hrs by luciferase-luciferin based reporter gene assay | F | 4.5 | pIC50 | >31262 | nM | IC50 | J Med Chem (2020) 63: 6179-6202 [PMID:32390431] |
ChEMBL | Antimalarial activity against luciferase-expressing Plasmodium berghei ANKA 676m1cl1 sporozoites infected in human HepG2A16 cells measured after 45 hrs by luciferase-luciferin based reporter assay | F | 4.5 | pIC50 | >31262 | nM | IC50 | J Med Chem (2019) 62: 3475-3502 [PMID:30852885] |
ChEMBL | Antiplasmodial activity against Plasmodium berghei liver stage form transfected in human Huh-7 cells assessed as cell viability after 48 hrs by luciferase reporter gene assay | F | 4.8 | pIC50 | 15900 | nM | IC50 | J Med Chem (2013) 56: 556-567 [PMID:23273038] |
ChEMBL | Antiplasmodial activity against liver stage of Plasmodium berghei expressing GFP-Luc infected in HuH7 cells incubated at 1 hr prior to infection followed by compound replenisment at 24 hrs post-infection measured after 48 hrs by Alamar blue assay | F | 4.82 | pIC50 | >15000 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 610-613 [PMID:23290049] |
ChEMBL | Antimalarial activity against exo-erythrocytic form of Plasmodium berghei infected in human HepG2 cells after 48 hrs | F | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2014) 82: 204-213 [PMID:24904967] |
ChEMBL | Antimalarial activity against sporozoite stage of Plasmodium berghei yoelii infected in human HepG2 cells | F | 5.05 | pIC50 | 9000 | nM | IC50 | J Med Chem (2016) 59: 264-281 [PMID:26640981] |
ChEMBL | Antimalarial activity against schizonts of chloroquine-sensitive Plasmodium berghei ANKA 2.34 after 16 hrs | F | 7.22 | pIC50 | 60 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 7048-7051 [PMID:23084276] |
ChEMBL | Antiplasmodial activity against liver stage Plasmodium berghei ANKA infected in human HepG2 cells measured after 44 hrs | F | 8.92 | pIC50 | >1.2 | nM | IC50 | Eur J Med Chem (2018) 146: 1-14 [PMID:29360043] |
ChEMBL | Antimicrobial activity against Plasmodium berghei sporozoites infected in 12 hrs compound pretreated human HepG2 cells assessed as reduction in viability of exoerythrocytic forms measured after 48 hrs of incubation by luciferase bioluminescence assay | F | 5 | pEC50 | >10000 | nM | EC50 | J Med Chem (2014) 57: 2773-2788 [PMID:24641010] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Inhibition of hematin polymerization in Plasmodium falciparum | F | 4.1 | pIC50 | 80000 | nM | IC50 | J Med Chem (1998) 41: 4360-4364 [PMID:9784111] |
ChEMBL | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 infected in human O positive erythrocyte assessed as reduction in parasitemia after 72 hrs | F | 4.19 | pIC50 | >64000 | nM | IC50 | Bioorg Med Chem (2014) 22: 5241-5248 [PMID:25199582] |
ChEMBL | Gametocytocidal activity against synchronous stage 4 to 5 of transgenic Plasmodium falciparum NF54 gametocyte harboring pfs16 promoter assessed as parasite viability after 72 hrs by MitoTracker Red CMXRos-based assay | F | 4.22 | pIC50 | 60000 | nM | IC50 | J Med Chem (2013) 56: 6200-6215 [PMID:23837878] |
ChEMBL | Inhibition of hydrogen peroxide-mediated haem detoxification in Plasmodium falciparum | F | 4.43 | pIC50 | 37000 | nM | IC50 | Bioorg Med Chem Lett (2001) 11: 2075-2077 [PMID:11514142] |
ChEMBL | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 infected in human RBC | F | 4.49 | pIC50 | 32000 | nM | IC50 | ACS Med Chem Lett (2013) 4: 1037-1041 [PMID:24900603] |
ChEMBL | Antimalarial activity after 72 hrs against chloroquine-sensitive Plasmodium falciparum D6 infected in erythrocytes by LDH assay | F | 4.53 | pIC50 | 29700 | nM | IC50 | Bioorg Med Chem (2009) 17: 741-751 [PMID:19084416] |
ChEMBL | Antimalarial activity against chloroquine-resistant Plasmodium falciparum | F | 4.53 | pIC50 | 29640 | nM | IC50 | Eur J Med Chem (2019) 166: 206-223 [PMID:30711831] |
ChEMBL | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in erythrocytes after 96 hrs by [3H]hypoxanthine incorporation assay | F | 4.68 | pIC50 | 21000 | nM | IC50 | J Med Chem (2009) 52: 7954-7957 [PMID:19908867] |
ChEMBL | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in erythrocytes after 48 hrs by [3H]hypoxanthine incorporation assay | F | 4.72 | pIC50 | 19000 | nM | IC50 | J Med Chem (2009) 52: 7954-7957 [PMID:19908867] |
ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 by lactate dehydrogenase assay | F | 4.79 | pIC50 | 16300 | nM | IC50 | J Nat Prod (2018) 81: 41-48 [PMID:29309141] |
ChEMBL | Antimalarial activity against Plasmodium falciparum 3D7 infected in human O positive erythrocytes assessed as reduction of parasite growth after 24 to 44 hrs by Giemsa staining | F | 4.82 | pIC50 | 15000 | nM | IC50 | Eur J Med Chem (2013) 67: 158-165 [PMID:23851117] |
ChEMBL | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 | F | 4.9 | pIC50 |