methotrexate [Ligand Id: 4815] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL34259 (Abitrexate, ADX-2191, Amethopterin, CL 14377, CL-14377, D-amethopterin, D-methotrexate, Ebetrex, EMT-25299, Emtexate high-pot, Emtexate pf, Folex, Jylamvo, Maxtrex, Methotrexate, Methotrexate, d-, Methotrexate, (r)-, Methotrexatum, Methylaminopterin, Metoject, Mexate, Mexate-AQ, Nordimet, NSC-740, Otrexup, Otrexup pfs, R-9985, Rasuvo, Reditrex, Rheumatrex, (r)-methotrexate, R-methotrexate, TCMDC-123832, TCMDC-125488, TCMDC-125858, Trexall, Zlatal)
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  • Bifunctional dihydrofolate reductase-thymidylate synthase in Trypanosoma cruzi [ChEMBL: CHEMBL1163130] [UniProtKB: Q27793]
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  • ABCC3/Canalicular multispecific organic anion transporter 2 in Rat [ChEMBL: CHEMBL2073682] [GtoPdb: 781] [UniProtKB: O88563]
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  • Dihydrofolate reductase in Escherichia coli [ChEMBL: CHEMBL1809] [UniProtKB: P0ABQ4]
  • Dihydrofolate reductase in S.aureus [ChEMBL: CHEMBL1681620] [UniProtKB: P0A017]
  • Dihydrofolate reductase in Enterococcus faecium [ChEMBL: CHEMBL3243913] [UniProtKB: P00380]
  • Dihydrofolate reductase in Bacillus anthracis [ChEMBL: CHEMBL5270] [UniProtKB: Q81R22]
  • Dihydrofolate reductase in Lactobacillus casei [ChEMBL: CHEMBL2902] [UniProtKB: P00381]
  • Dihydrofolate reductase in Mycobacterium tuberculosis [ChEMBL: CHEMBL6065] [UniProtKB: P9WNX1]
  • Dihydrofolate reductase in Pneumocystis carinii [ChEMBL: CHEMBL1926] [UniProtKB: P16184]
  • Dihydrofolate reductase in Leishmania major [ChEMBL: CHEMBL4614] [UniProtKB: P07382]
  • Dihydrofolate reductase in Toxoplasma gondii [ChEMBL: CHEMBL2425] [UniProtKB: Q07422]
  • Dihydrofolate reductase in Plasmodium falciparum K1 [ChEMBL: CHEMBL1939] [UniProtKB: P13922]
  • Dihydrofolate reductase in Chicken [ChEMBL: CHEMBL2575] [UniProtKB: P00378]
  • dihydrofolate reductase/Dihydrofolate reductase in Human [ChEMBL: CHEMBL202] [GtoPdb: 2603] [UniProtKB: P00374]
  • Dihydrofolate reductase in Bovine [ChEMBL: CHEMBL1075051] [UniProtKB: P00376]
  • dihydrofolate reductase/Dihydrofolate reductase in Mouse [ChEMBL: CHEMBL4564] [GtoPdb: 2603] [UniProtKB: P00375]
  • dihydrofolate reductase/Dihydrofolate reductase in Rat [ChEMBL: CHEMBL2363] [GtoPdb: 2603] [UniProtKB: Q920D2]
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  • folate receptor alpha/Folate receptor alpha in Human [ChEMBL: CHEMBL2121] [GtoPdb: 3212] [UniProtKB: P15328]
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  • Reduced folate transporter 1/Folate transporter 1 in Human [ChEMBL: CHEMBL4833] [GtoPdb: 1014] [UniProtKB: P41440]
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  • Folylpoly-gamma-glutamate synthetase in Human [ChEMBL: CHEMBL3171] [UniProtKB: Q05932]
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  • phosphoribosylglycinamide formyltransferase, phosphoribosylglycinamide synthetase, phosphoribosylaminoimidazole synthetase/GAR transformylase in Human [ChEMBL: CHEMBL3972] [GtoPdb: 2612] [UniProtKB: P22102]
  • phosphoribosylglycinamide formyltransferase, phosphoribosylglycinamide synthetase, phosphoribosylaminoimidazole synthetase/GAR transformylase in Mouse [ChEMBL: CHEMBL3690] [GtoPdb: 2612] [UniProtKB: Q64737]
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  • high mobility group box 1/High mobility group protein B1 in Human [ChEMBL: CHEMBL2311236] [GtoPdb: 3279] [UniProtKB: P09429]
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  • Pteridine reductase 1 in Leishmania major [ChEMBL: CHEMBL6194] [UniProtKB: Q01782]
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  • Thymidylate synthase in Escherichia coli [ChEMBL: CHEMBL6137] [UniProtKB: C3SWJ7]
  • Thymidylate synthase in Lactobacillus casei [ChEMBL: CHEMBL5328] [UniProtKB: P00469]
  • thymidylate synthetase/Thymidylate synthase in Human [ChEMBL: CHEMBL1952] [GtoPdb: 2642] [UniProtKB: P04818]
  • thymidylate synthetase/Thymidylate synthase in Mouse [ChEMBL: CHEMBL3160] [GtoPdb: 2642] [UniProtKB: P07607]
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  • Thymidylate synthase (EC 2.1.1.45) (TS) (TSase) in Escherichia coli [ChEMBL: CHEMBL1795153] [UniProtKB: E2QDN0]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
AICAR transformylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2518] [UniProtKB: P31939]
ChEMBL Inhibition of human full length N-terminal His-tagged ATIC expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in THF formation using 10-CHOTHF as substrate by spectrophotometric method B 6.06 pKi 880 nM Ki Bioorg Med Chem (2021) 37: 116093-116093 [PMID:33773393]
ChEMBL Inhibitory activity against AICAR formyltransferase of Lactobacillus casei B 4.7 pIC50 >20000 nM IC50 J Med Chem (1988) 31: 150-153 [PMID:3121855]
Bifunctional dihydrofolate reductase-thymidylate synthase in Trypanosoma cruzi (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1163130] [UniProtKB: Q27793]
ChEMBL Inhibition of Trypanosoma cruzi DHFR-TS in presence of NADPH by spectrophotometry B 6.96 pIC50 110 nM IC50 Bioorg Med Chem (2022) 58: 116577-116577 [PMID:35189560]
ABCC3/Canalicular multispecific organic anion transporter 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073682] [GtoPdb: 781] [UniProtKB: O88563]
ChEMBL TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicles from Mrp3-expressing Sf9 cells F 4.05 pKi 90000 nM Ki Pharm Res (2002) 19: 34-41 [PMID:11837698]
Dihydrofolate reductase in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1809] [UniProtKB: P0ABQ4]
ChEMBL Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 9.5 B 5.77 pKd 1700 nM Kd J Med Chem (1988) 31: 129-137 [PMID:3275776]
ChEMBL Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 9.5 B 5.96 pKd 1100 nM Kd J Med Chem (1988) 31: 129-137 [PMID:3275776]
ChEMBL Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 8 B 6.85 pKd 140 nM Kd J Med Chem (1988) 31: 129-137 [PMID:3275776]
ChEMBL Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 8 B 7.08 pKd 84 nM Kd J Med Chem (1988) 31: 129-137 [PMID:3275776]
ChEMBL Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 9.5 B 7.51 pKd 31 nM Kd J Med Chem (1988) 31: 129-137 [PMID:3275776]
ChEMBL Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 6 B 8.49 pKd 3.2 nM Kd J Med Chem (1988) 31: 129-137 [PMID:3275776]
ChEMBL Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 6 B 8.64 pKd 2.3 nM Kd J Med Chem (1988) 31: 129-137 [PMID:3275776]
ChEMBL Inhibitory activity against dihydrofolate reductase B 9 pKd <1 nM Kd Bioorg Med Chem Lett (2004) 14: 2285-2289 [PMID:15081026]
ChEMBL Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 8 B 10.02 pKd 0.1 nM Kd J Med Chem (1988) 31: 129-137 [PMID:3275776]
ChEMBL Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 6 B 10.64 pKd 0.02 nM Kd J Med Chem (1988) 31: 129-137 [PMID:3275776]
ChEMBL Binding constant(Ki) to dihydrofolate reductase (DHFR) Tyr -31 was determined B 5.62 pKi 2400 nM Ki J Med Chem (1988) 31: 129-137 [PMID:3275776]
ChEMBL Binding constant(Ki) to dihydrofolate reductase (DHFR) Phe -31 was determined B 6.48 pKi 330 nM Ki J Med Chem (1988) 31: 129-137 [PMID:3275776]
ChEMBL Binding affinity against Dihydrofolate reductase of Escherichia coli B 10.68 pKi 0.02 nM Ki J Med Chem (1985) 28: 303-311 [PMID:3973902]
ChEMBL Inhibitory activity against recombinant Escherichia coli dihydrofolate reductase B 5.36 pIC50 4400 nM IC50 J Med Chem (2001) 44: 1993-2003 [PMID:11384244]
ChEMBL Inhibition of Escherichia coli DHFR B 7.49 pIC50 32 nM IC50 J Med Chem (2004) 47: 6730-6739 [PMID:15615522]
ChEMBL Inhibition of Escherichia coli dihydrofolate reductase (DHFR) B 8.05 pIC50 9 nM IC50 J Med Chem (2002) 45: 1942-1948 [PMID:11960504]
ChEMBL Inhibitory concentration against Escherichia coli Dihydrofolate reductase B 8.05 pIC50 9 nM IC50 J Med Chem (2000) 43: 3125-3133 [PMID:10956221]
ChEMBL Inhibition of Escherichia coli DHFR B 8.06 pIC50 8.8 nM IC50 J Med Chem (2008) 51: 5789-5797 [PMID:18800768]
ChEMBL Inhibition of Escherichia coli DHFR B 8.06 pIC50 8.8 nM IC50 Bioorg Med Chem (2012) 20: 4217-4225 [PMID:22739090]
ChEMBL Inhibition of Escherichia coli dihydrofolate reductase B 8.06 pIC50 8.8 nM IC50 J Med Chem (2009) 52: 4892-4902 [PMID:19719239]
ChEMBL Inhibition of Escherichia coli DHFR B 8.15 pIC50 7 nM IC50 J Med Chem (2004) 47: 6893-6901 [PMID:15615538]
ChEMBL Inhibition of Escherichia coli dihydrofolate reductase at 37 degree C pH 7.4 B 8.15 pIC50 7 nM IC50 J Med Chem (2005) 48: 5329-5336 [PMID:16078850]
ChEMBL Compound was evaluated as inhibitor of Escherichia coli Dihydrofolate reductase B 8.15 pIC50 7 nM IC50 J Med Chem (2003) 46: 591-600 [PMID:12570380]
ChEMBL Inhibition of Escherichia coli DHFR B 8.18 pIC50 6.6 nM IC50 J Med Chem (2005) 48: 7215-7222 [PMID:16279780]
ChEMBL Inhibition of Escherichia coli DHFR at 30 degC under pH 7.4 by spectrophotometry B 8.18 pIC50 6.6 nM IC50 Bioorg Med Chem (2010) 18: 953-961 [PMID:20056546]
ChEMBL Inhibition of Escherichia coli DHFR B 8.18 pIC50 6.6 nM IC50 J Med Chem (2010) 53: 1563-1578 [PMID:20092323]
ChEMBL Inhibition of Escherichia coli dihydrofolate reductase B 8.18 pIC50 6.6 nM IC50 J Med Chem (2008) 51: 4589-4600 [PMID:18605720]
ChEMBL Inhibitory activity against Escherichia coli (ec) Dihydrofolate reductase B 8.22 pIC50 6 nM IC50 J Med Chem (2002) 45: 5173-5181 [PMID:12408727]
ChEMBL Inhibitory concentration against isolated Escherichia coli Dihydrofolate reductase B 8.22 pIC50 6 nM IC50 J Med Chem (2000) 43: 3837-3851 [PMID:11052789]
ChEMBL Inhibition of Escherichia coli DHFR by spectrophotometry B 8.36 pIC50 4.4 nM IC50 Bioorg Med Chem (2011) 19: 3585-3594 [PMID:21550809]
ChEMBL Inhibition of Escherichia coli DHFR B 8.52 pIC50 3 nM IC50 J Med Chem (2006) 49: 6977-6986 [PMID:17125251]
ChEMBL Inhibitory activity against recombinant ec dihydrofolate reductase(in 50 uM dihydrofolic acid) B 8.66 pIC50 2.2 nM IC50 J Med Chem (1996) 39: 1438-1446 [PMID:8691474]
Dihydrofolate reductase in S.aureus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1681620] [UniProtKB: P0A017]
ChEMBL Inhibition of Staphylococcus aureus DHFR B 9 pKi 1 nM Ki ACS Med Chem Lett (2016) 7: 692-696 [PMID:27437079]
Dihydrofolate reductase in Enterococcus faecium (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3243913] [UniProtKB: P00380]
ChEMBL Inhibition of Streptococcus faecium dihydrofolate reductase using dihydrofolate as substrate B 8.85 pIC50 1.4 nM IC50 J Med Chem (1977) 20: 588-591 [PMID:850245]
Dihydrofolate reductase in Bacillus anthracis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5270] [UniProtKB: Q81R22]
ChEMBL Inhibition of Bacillus anthracis DHFR B 7.82 pIC50 15 nM IC50 Antimicrob Agents Chemother (2009) 53: 3065-3073 [PMID:19364848]
ChEMBL Inhibition of Bacillus anthracis DHFR B 7.91 pIC50 12.2 nM IC50 Antimicrob Agents Chemother (2009) 53: 3065-3073 [PMID:19364848]
Dihydrofolate reductase in Lactobacillus casei (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2902] [UniProtKB: P00381]
ChEMBL Inhibitory activity against recombinant lc dihydrofolate reductase(in 50 uM dihydrofolic acid) B 7.26 pIC50 55 nM IC50 J Med Chem (1996) 39: 1438-1446 [PMID:8691474]
ChEMBL Inhibitory concentration against isolated Lactobacillus casei Dihydrofolate reductase B 7.36 pIC50 44 nM IC50 J Med Chem (2000) 43: 3837-3851 [PMID:11052789]
ChEMBL Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 2) F 7.59 pIC50 26 nM IC50 J Med Chem (1988) 31: 181-185 [PMID:2447278]
ChEMBL Compound was evaluated as inhibitor of Lactobacillus casei Dihydrofolate reductase B 7.66 pIC50 22 nM IC50 J Med Chem (2003) 46: 591-600 [PMID:12570380]
ChEMBL Inhibition of Lactobacillus casei DHFR B 7.66 pIC50 22 nM IC50 J Med Chem (2004) 47: 6893-6901 [PMID:15615538]
ChEMBL Inhibition of Lactobacillus casei dihydrofolate reductase at 37 degree C pH 7.4 B 7.66 pIC50 22 nM IC50 J Med Chem (2005) 48: 5329-5336 [PMID:16078850]
ChEMBL Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 6) F 7.8 pIC50 16 nM IC50 J Med Chem (1988) 31: 181-185 [PMID:2447278]
ChEMBL Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 3) F 7.8 pIC50 16 nM IC50 J Med Chem (1988) 31: 181-185 [PMID:2447278]
ChEMBL Evaluated for inhibition of dihydrofolate reductase (DHFR) from Lactobacillus casei B 7.8 pIC50 16 nM IC50 J Med Chem (1988) 31: 2164-2169 [PMID:3184124]
ChEMBL Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 2) F 7.8 pIC50 16 nM IC50 J Med Chem (1988) 31: 181-185 [PMID:2447278]
ChEMBL Inhibitory activity against dihydrofolate reductase of Lactobacillus casei B 7.8 pIC50 16 nM IC50 J Med Chem (1988) 31: 150-153 [PMID:3121855]
ChEMBL Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 5) F 7.82 pIC50 15 nM IC50 J Med Chem (1988) 31: 181-185 [PMID:2447278]
ChEMBL Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 4) F 7.82 pIC50 15 nM IC50 J Med Chem (1988) 31: 181-185 [PMID:2447278]
ChEMBL In vitro inhibition of Dihydrofolate reductase activity against Lactobacillus casei enzyme F 7.92 pIC50 12 nM IC50 J Med Chem (1982) 25: 877-880 [PMID:7108907]
ChEMBL Inhibitory concentration against Lactobacillus casei Dihydrofolate reductase B 7.96 pIC50 11 nM IC50 J Med Chem (2000) 43: 3125-3133 [PMID:10956221]
ChEMBL Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Lactobacillus casei ATCC 7469 B 8 pIC50 10 nM IC50 J Med Chem (1986) 29: 1056-1061 [PMID:3712374]
ChEMBL Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR)derived from Lactobacillus casei B 8 pIC50 10 nM IC50 J Med Chem (1986) 29: 1786-1789 [PMID:3091834]
ChEMBL Ability to inhibit Lactobacillus casei dihydrofolate reductase in vitro was determined B 8.02 pIC50 9.6 nM IC50 J Med Chem (1980) 23: 899-903 [PMID:6772788]
ChEMBL Inhibitory activity against dihydrofolate reductase of Lactobacillus casei B 8.07 pIC50 8.5 nM IC50 J Med Chem (1986) 29: 1754-1760 [PMID:3091832]
ChEMBL Concentration required for 50% inhibition against dihydrofolate reductase of Lactobacillus casei B 8.1 pIC50 8 nM IC50 J Med Chem (1983) 26: 605-607 [PMID:6403710]
ChEMBL Inhibitory activity against dihydrofolate reductase derived from Lactobacillus casei B 8.1 pIC50 8 nM IC50 J Med Chem (1986) 29: 1263-1269 [PMID:3100797]
ChEMBL inhibitory concentration against Lactobacillus casei DHFR(Dihydro folate reductase). B 8.22 pIC50 6 nM IC50 J Med Chem (1995) 38: 3798-3805 [PMID:7562910]
ChEMBL Inhibitory concentration for DHFR in Lactobacillus casei B 8.22 pIC50 6 nM IC50 J Med Chem (1994) 37: 1169-1176 [PMID:8164259]
ChEMBL Inhibition of Lactobacillus casei DHFR B 8.22 pIC50 6 nM IC50 J Med Chem (2007) 50: 3283-3289 [PMID:17569517]
ChEMBL Inhibition of Lactobacillus casei DHFR by spectrophotometric analysis B 8.3 pIC50 5 nM IC50 Bioorg Med Chem (2010) 18: 5081-5089 [PMID:20580561]
ChEMBL Inhibition of DCM-resistant Lactobacillus casei DHFR B 8.35 pIC50 4.5 nM IC50 J Med Chem (1976) 19: 825-829 [PMID:820858]
ChEMBL Inhibition of MTX-resistant Lactobacillus casei dihydrofolate reductase B 8.52 pIC50 3 nM IC50 J Med Chem (1977) 20: 1323-1327 [PMID:409842]
ChEMBL Inhibition of Lactobacillus casei ATCC 7469 dihydrofolate reductase B 8.52 pIC50 3 nM IC50 J Med Chem (1979) 22: 869-874 [PMID:109616]
ChEMBL Inhibitory activity against recombinant sf dihydrofolate reductase(in 50 uM dihydrofolic acid) B 8.66 pIC50 2.2 nM IC50 J Med Chem (1996) 39: 1438-1446 [PMID:8691474]
ChEMBL Compound was tested for the inhibition of dihydrofolate reductase in Bovine liver B 8.89 pIC50 1.3 nM IC50 J Med Chem (1994) 37: 1616-1624 [PMID:8201595]
Dihydrofolate reductase in Mycobacterium tuberculosis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6065] [UniProtKB: P9WNX1]
ChEMBL Inhibition of Mycobacterium tuberculosis His-tagged DHFR assessed as reduction in consumption of NADPH using DHF as substrate measured every 30 secs over 6 mins by spectrophotometric method B 7.46 pIC50 35 nM IC50 Eur J Med Chem (2018) 144: 262-276 [PMID:29274493]
ChEMBL Inhibition of Mycobacterium tuberculosis H37Rv DHFR expressed in Escherichia coli BL21(DE3) assessed as reduction in consumption of NADPH using DHF as substrate preincubated for 1 min followed by DHF addition and measured for 2 mins by spectrophotometric method B 8.06 pIC50 8.8 nM IC50 Bioorg Med Chem (2019) 27: 1421-1429 [PMID:30827867]
ChEMBL Inhibition of recombinant Mycobacterium tuberculosis DHFR using 45 uM DHF as substrate by spectrophotometry B 8.08 pIC50 8.25 nM IC50 ACS Med Chem Lett (2015) 6: 1140-1144 [PMID:26617968]
Dihydrofolate reductase in Pneumocystis carinii (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1926] [UniProtKB: P16184]
ChEMBL Inhibitory activity was determined against dihydrofolate reductase in Pneumocystis carinii. B 6.06 pIC50 880 nM IC50 J Med Chem (1995) 38: 4739-4759 [PMID:7490723]
ChEMBL Inhibitory concentration against isolated Pneumocystis carinii DHFR (Dihydrofolate reductase) B 7.86 pIC50 13.8 nM IC50 J Med Chem (2000) 43: 3837-3851 [PMID:11052789]
ChEMBL Inhibitory activity against dihydrofolate reductase in Pneumocystis carinii at 37 centigrade. B 8.89 pIC50 1.3 nM IC50 J Med Chem (1995) 38: 4739-4759 [PMID:7490723]
ChEMBL Inhibitory activity against Dihydrofolate reductase from Pneumocystis carinii was evaluated using 90 uM dihydrofolic acid as substrate B 8.89 pIC50 1.3 nM IC50 J Med Chem (1997) 40: 3040-3048 [PMID:9301666]
ChEMBL Inhibitory activity against Pneumocystis carinii dihydrofolate reductase (in 90 uM dihydrofolic acid) B 8.89 pIC50 1.3 nM IC50 J Med Chem (1996) 39: 1438-1446 [PMID:8691474]