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ChEMBL ligand: CHEMBL36 (Malacide, TCMDC-123831, GNF-PF-5586, Chloridin, Daraprim, Pyrimethamine, TCMDC-125860, WR-2978, NSC-3061, RP-4753) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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: CHEMBL5441] [UniProtKB: B0BL08] | ||||||||
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 |