Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' AND taxid = 485   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165442 (2-Amino-5-(4-bromo-phenylsulfanyl)-6-methyl-3,7-di...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)cc1 Show InChI InChI=1S/C13H11BrN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165447 (2-Amino-5-(3,5-bis-trifluoromethyl-phenylsulfanyl)...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H10F6N4OS/c1-5-10(9-11(23-5)24-13(22)25-12(9)26)27-8-3-6(14(16,17)18)2-7(4-8)15(19,20)21/h2-4H,1H3,(H4,22,23,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165444 (2-Amino-5-(4-bromo-3-nitro-phenylsulfanyl)-6-methy...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H10BrN5O3S/c1-5-10(9-11(16-5)17-13(15)18-12(9)20)23-6-2-3-7(14)8(4-6)19(21)22/h2-4H,1H3,(H4,15,16,17,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165450 (2-Amino-5-(4-bromo-3-chloro-phenylsulfanyl)-6-meth...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)c(Cl)c1 Show InChI InChI=1S/C13H10BrClN4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165443 (2-Amino-5-(3,5-dinitro-phenylsulfanyl)-6-methyl-3,...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C13H10N6O5S/c1-5-10(9-11(15-5)16-13(14)17-12(9)20)25-8-3-6(18(21)22)2-7(4-8)19(23)24/h2-4H,1H3,(H4,14,15,16,17,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165452 (2-Amino-5-(4-chloro-3-nitro-phenylsulfanyl)-6-meth...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H10ClN5O3S/c1-5-10(9-11(16-5)17-13(15)18-12(9)20)23-6-2-3-7(14)8(4-6)19(21)22/h2-4H,1H3,(H4,15,16,17,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165451 (2-Amino-6-methyl-5-(4-trifluoromethoxy-phenylsulfa...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C14H11F3N4O2S/c1-6-10(9-11(19-6)20-13(18)21-12(9)22)24-8-4-2-7(3-5-8)23-14(15,16)17/h2-5H,1H3,(H4,18,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165439 (2-Amino-5-(3-bromo-phenylsulfanyl)-6-methyl-3,7-di...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cccc(Br)c1 Show InChI InChI=1S/C13H11BrN4OS/c1-6-10(20-8-4-2-3-7(14)5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165438 (2-Amino-6-methyl-5-(4-trifluoromethyl-phenylsulfan...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H11F3N4OS/c1-6-10(9-11(19-6)20-13(18)21-12(9)22)23-8-4-2-7(3-5-8)14(15,16)17/h2-5H,1H3,(H4,18,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165440 (2-Amino-5-(3,5-dichloro-phenylsulfanyl)-6-methyl-3...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C13H10Cl2N4OS/c1-5-10(21-8-3-6(14)2-7(15)4-8)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165448 (2-Amino-5-(3-chloro-4-fluoro-phenylsulfanyl)-6-met...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C13H10ClFN4OS/c1-5-10(21-6-2-3-8(15)7(14)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165449 (2-Amino-5-(3,4-difluoro-phenylsulfanyl)-6-methyl-3...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(F)c(F)c1 Show InChI InChI=1S/C13H10F2N4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165445 (2-Amino-5-(3,5-difluoro-phenylsulfanyl)-6-methyl-3...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(F)cc(F)c1 Show InChI InChI=1S/C13H10F2N4OS/c1-5-10(21-8-3-6(14)2-7(15)4-8)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165453 (2-Amino-5-(3-chloro-phenylsulfanyl)-6-methyl-3,7-d...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cccc(Cl)c1 Show InChI InChI=1S/C13H11ClN4OS/c1-6-10(20-8-4-2-3-7(14)5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165437 (2-Amino-5-(4-fluoro-phenylsulfanyl)-6-methyl-3,7-d...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1 Show InChI InChI=1S/C13H11FN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165446 (2-Amino-5-(3-fluoro-phenylsulfanyl)-6-methyl-3,7-d...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cccc(F)c1 Show InChI InChI=1S/C13H11FN4OS/c1-6-10(20-8-4-2-3-7(14)5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165454 (4-(2-Amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C#N Show InChI InChI=1S/C14H11N5OS/c1-7-11(21-9-4-2-8(6-15)3-5-9)10-12(17-7)18-14(16)19-13(10)20/h2-5H,1H3,(H4,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165441 (2-{4-[(2,4-Diamino-4,4a-dihydro-pyrido[3,2-d]pyrim...) Show SMILES CN(Cc1ccc2NC(N)=NC(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |c:9| Show InChI InChI=1S/C21H25N7O5/c1-28(10-12-4-7-14-17(24-12)18(22)27-21(23)26-14)13-5-2-11(3-6-13)19(31)25-15(20(32)33)8-9-16(29)30/h2-7,15,18H,8-10,22H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H3,23,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM18796 ((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...) Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair