Compile Data Set for Download or QSAR

Found 128 hits Enz. Inhib. hit(s) with all data for entry = 2225   

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 (Mycobacterium avium)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18246 ((2S)-2-{[4-({2,4-diamino-5-ethyl-7H-pyrrolo[2,3-d]...) Show SMILES CCc1c(Sc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[nH]c2nc(N)nc(N)c12 |r| Show InChI InChI=1S/C20H22N6O5S/c1-2-11-14-15(21)24-20(22)26-16(14)25-18(11)32-10-5-3-9(4-6-10)17(29)23-12(19(30)31)7-8-13(27)28/h3-6,12H,2,7-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H5,21,22,24,25,26)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18245 ((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...) Show SMILES Cc1c(Sc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[nH]c2nc(N)nc(N)c12 |r| Show InChI InChI=1S/C19H20N6O5S/c1-8-13-14(20)23-19(21)25-15(13)24-17(8)31-10-4-2-9(3-5-10)16(28)22-11(18(29)30)6-7-12(26)27/h2-5,11H,6-7H2,1H3,(H,22,28)(H,26,27)(H,29,30)(H5,20,21,23,24,25)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	22	n/a	13.3	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Pneumocystis carinii)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18246 ((2S)-2-{[4-({2,4-diamino-5-ethyl-7H-pyrrolo[2,3-d]...) Show SMILES CCc1c(Sc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[nH]c2nc(N)nc(N)c12 |r| Show InChI InChI=1S/C20H22N6O5S/c1-2-11-14-15(21)24-20(22)26-16(14)25-18(11)32-10-5-3-9(4-6-10)17(29)23-12(19(30)31)7-8-13(27)28/h3-6,12H,2,7-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H5,21,22,24,25,26)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	68	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18249 (5-ethyl-6-[(4-nitrophenyl)sulfanyl]-7H-pyrrolo[2,3...) Show SMILES CCc1c(Sc2ccc(cc2)[N+]([O-])=O)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14N6O2S/c1-2-9-10-11(15)17-14(16)19-12(10)18-13(9)23-8-5-3-7(4-6-8)20(21)22/h3-6H,2H2,1H3,(H5,15,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18267 (6-[(2,5-dimethoxyphenyl)sulfanyl]-5-methyl-7H-pyrr...) Show SMILES COc1ccc(OC)c(Sc2[nH]c3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C15H17N5O2S/c1-7-11-12(16)18-15(17)20-13(11)19-14(7)23-10-6-8(21-2)4-5-9(10)22-3/h4-6H,1-3H3,(H5,16,17,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18255 (6-[(2,5-dimethoxyphenyl)sulfanyl]-5-ethyl-7H-pyrro...) Show SMILES CCc1c(Sc2cc(OC)ccc2OC)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C16H19N5O2S/c1-4-9-12-13(17)19-16(18)21-14(12)20-15(9)24-11-7-8(22-2)5-6-10(11)23-3/h5-7H,4H2,1-3H3,(H5,17,18,19,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18258 (5-ethyl-6-(quinolin-8-ylsulfanyl)-7H-pyrrolo[2,3-d...) Show SMILES CCc1c(Sc2cccc3cccnc23)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C17H16N6S/c1-2-10-12-14(18)21-17(19)23-15(12)22-16(10)24-11-7-3-5-9-6-4-8-20-13(9)11/h3-8H,2H2,1H3,(H5,18,19,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18255 (6-[(2,5-dimethoxyphenyl)sulfanyl]-5-ethyl-7H-pyrro...) Show SMILES CCc1c(Sc2cc(OC)ccc2OC)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C16H19N5O2S/c1-4-9-12-13(17)19-16(18)21-14(12)20-15(9)24-11-7-8(22-2)5-6-10(11)23-3/h5-7H,4H2,1-3H3,(H5,17,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18253 (6-[(2,4-dichlorophenyl)sulfanyl]-5-ethyl-7H-pyrrol...) Show SMILES CCc1c(Sc2ccc(Cl)cc2Cl)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H13Cl2N5S/c1-2-7-10-11(17)19-14(18)21-12(10)20-13(7)22-9-4-3-6(15)5-8(9)16/h3-5H,2H2,1H3,(H5,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18250 (6-[(4-bromophenyl)sulfanyl]-5-ethyl-7H-pyrrolo[2,3...) Show SMILES CCc1c(Sc2ccc(Br)cc2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14BrN5S/c1-2-9-10-11(16)18-14(17)20-12(10)19-13(9)21-8-5-3-7(15)4-6-8/h3-6H,2H2,1H3,(H5,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18248 (5-ethyl-6-(naphthalen-2-ylsulfanyl)-7H-pyrrolo[2,3...) Show SMILES CCc1c(Sc2ccc3ccccc3c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C18H17N5S/c1-2-13-14-15(19)21-18(20)23-16(14)22-17(13)24-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3,(H5,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18247 (5-ethyl-6-(naphthalen-1-ylsulfanyl)-7H-pyrrolo[2,3...) Show SMILES CCc1c(Sc2cccc3ccccc23)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C18H17N5S/c1-2-11-14-15(19)21-18(20)23-16(14)22-17(11)24-13-9-5-7-10-6-3-4-8-12(10)13/h3-9H,2H2,1H3,(H5,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18262 (5-methyl-6-(naphthalen-2-ylsulfanyl)-7H-pyrrolo[2,...) Show SMILES Cc1c(Sc2ccc3ccccc3c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C17H15N5S/c1-9-13-14(18)20-17(19)22-15(13)21-16(9)23-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H5,18,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18258 (5-ethyl-6-(quinolin-8-ylsulfanyl)-7H-pyrrolo[2,3-d...) Show SMILES CCc1c(Sc2cccc3cccnc23)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C17H16N6S/c1-2-10-12-14(18)21-17(19)23-15(12)22-16(10)24-11-7-3-5-9-6-4-8-20-13(9)11/h3-8H,2H2,1H3,(H5,18,19,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18251 (6-[(3-chlorophenyl)sulfanyl]-5-ethyl-7H-pyrrolo[2,...) Show SMILES CCc1c(Sc2cccc(Cl)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14ClN5S/c1-2-9-10-11(16)18-14(17)20-12(10)19-13(9)21-8-5-3-4-7(15)6-8/h3-6H,2H2,1H3,(H5,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18258 (5-ethyl-6-(quinolin-8-ylsulfanyl)-7H-pyrrolo[2,3-d...) Show SMILES CCc1c(Sc2cccc3cccnc23)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C17H16N6S/c1-2-10-12-14(18)21-17(19)23-15(12)22-16(10)24-11-7-3-5-9-6-4-8-20-13(9)11/h3-8H,2H2,1H3,(H5,18,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18257 (5-ethyl-6-(phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimi...) Show SMILES CCc1c(Sc2ccccc2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H15N5S/c1-2-9-10-11(15)17-14(16)19-12(10)18-13(9)20-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H5,15,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18267 (6-[(2,5-dimethoxyphenyl)sulfanyl]-5-methyl-7H-pyrr...) Show SMILES COc1ccc(OC)c(Sc2[nH]c3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C15H17N5O2S/c1-7-11-12(16)18-15(17)20-13(11)19-14(7)23-10-6-8(21-2)4-5-9(10)22-3/h4-6H,1-3H3,(H5,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18257 (5-ethyl-6-(phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimi...) Show SMILES CCc1c(Sc2ccccc2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H15N5S/c1-2-9-10-11(15)17-14(16)19-12(10)18-13(9)20-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H5,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18245 ((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...) Show SMILES Cc1c(Sc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[nH]c2nc(N)nc(N)c12 |r| Show InChI InChI=1S/C19H20N6O5S/c1-8-13-14(20)23-19(21)25-15(13)24-17(8)31-10-4-2-9(3-5-10)16(28)22-11(18(29)30)6-7-12(26)27/h2-5,11H,6-7H2,1H3,(H,22,28)(H,26,27)(H,29,30)(H5,20,21,23,24,25)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	190	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18253 (6-[(2,4-dichlorophenyl)sulfanyl]-5-ethyl-7H-pyrrol...) Show SMILES CCc1c(Sc2ccc(Cl)cc2Cl)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H13Cl2N5S/c1-2-7-10-11(17)19-14(18)21-12(10)20-13(7)22-9-4-3-6(15)5-8(9)16/h3-5H,2H2,1H3,(H5,17,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18252 (6-[(3,4-dichlorophenyl)sulfanyl]-5-ethyl-7H-pyrrol...) Show SMILES CCc1c(Sc2ccc(Cl)c(Cl)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H13Cl2N5S/c1-2-7-10-11(17)19-14(18)21-12(10)20-13(7)22-6-3-4-8(15)9(16)5-6/h3-5H,2H2,1H3,(H5,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Escherichia coli)	BDBM18254 (5-ethyl-6-[(4-methoxyphenyl)sulfanyl]-7H-pyrrolo[2...) Show SMILES CCc1c(Sc2ccc(OC)cc2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C15H17N5OS/c1-3-10-11-12(16)18-15(17)20-13(11)19-14(10)22-9-6-4-8(21-2)5-7-9/h4-7H,3H2,1-2H3,(H5,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18256 (5-ethyl-6-[(3-methoxyphenyl)sulfanyl]-7H-pyrrolo[2...) Show SMILES CCc1c(Sc2cccc(OC)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C15H17N5OS/c1-3-10-11-12(16)18-15(17)20-13(11)19-14(10)22-9-6-4-5-8(7-9)21-2/h4-7H,3H2,1-2H3,(H5,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18249 (5-ethyl-6-[(4-nitrophenyl)sulfanyl]-7H-pyrrolo[2,3...) Show SMILES CCc1c(Sc2ccc(cc2)[N+]([O-])=O)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14N6O2S/c1-2-9-10-11(15)17-14(16)19-12(10)18-13(9)23-8-5-3-7(4-6-8)20(21)22/h3-6H,2H2,1H3,(H5,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18253 (6-[(2,4-dichlorophenyl)sulfanyl]-5-ethyl-7H-pyrrol...) Show SMILES CCc1c(Sc2ccc(Cl)cc2Cl)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H13Cl2N5S/c1-2-7-10-11(17)19-14(18)21-12(10)20-13(7)22-9-4-3-6(15)5-8(9)16/h3-5H,2H2,1H3,(H5,17,18,19,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18249 (5-ethyl-6-[(4-nitrophenyl)sulfanyl]-7H-pyrrolo[2,3...) Show SMILES CCc1c(Sc2ccc(cc2)[N+]([O-])=O)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14N6O2S/c1-2-9-10-11(15)17-14(16)19-12(10)18-13(9)23-8-5-3-7(4-6-8)20(21)22/h3-6H,2H2,1H3,(H5,15,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18251 (6-[(3-chlorophenyl)sulfanyl]-5-ethyl-7H-pyrrolo[2,...) Show SMILES CCc1c(Sc2cccc(Cl)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14ClN5S/c1-2-9-10-11(16)18-14(17)20-12(10)19-13(9)21-8-5-3-4-7(15)6-8/h3-6H,2H2,1H3,(H5,16,17,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18251 (6-[(3-chlorophenyl)sulfanyl]-5-ethyl-7H-pyrrolo[2,...) Show SMILES CCc1c(Sc2cccc(Cl)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14ClN5S/c1-2-9-10-11(16)18-14(17)20-12(10)19-13(9)21-8-5-3-4-7(15)6-8/h3-6H,2H2,1H3,(H5,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18266 (6-[(4-methoxyphenyl)sulfanyl]-5-methyl-7H-pyrrolo[...) Show SMILES COc1ccc(Sc2[nH]c3nc(N)nc(N)c3c2C)cc1 Show InChI InChI=1S/C14H15N5OS/c1-7-10-11(15)17-14(16)19-12(10)18-13(7)21-9-5-3-8(20-2)4-6-9/h3-6H,1-2H3,(H5,15,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18260 (6-[(4-chlorophenyl)sulfanyl]-5-ethyl-7H-pyrrolo[2,...) Show SMILES CCc1c(Sc2ccc(Cl)cc2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14ClN5S/c1-2-9-10-11(16)18-14(17)20-12(10)19-13(9)21-8-5-3-7(15)4-6-8/h3-6H,2H2,1H3,(H5,16,17,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18262 (5-methyl-6-(naphthalen-2-ylsulfanyl)-7H-pyrrolo[2,...) Show SMILES Cc1c(Sc2ccc3ccccc3c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C17H15N5S/c1-9-13-14(18)20-17(19)22-15(13)21-16(9)23-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H5,18,19,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18256 (5-ethyl-6-[(3-methoxyphenyl)sulfanyl]-7H-pyrrolo[2...) Show SMILES CCc1c(Sc2cccc(OC)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C15H17N5OS/c1-3-10-11-12(16)18-15(17)20-13(11)19-14(10)22-9-6-4-5-8(7-9)21-2/h4-7H,3H2,1-2H3,(H5,16,17,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18255 (6-[(2,5-dimethoxyphenyl)sulfanyl]-5-ethyl-7H-pyrro...) Show SMILES CCc1c(Sc2cc(OC)ccc2OC)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C16H19N5O2S/c1-4-9-12-13(17)19-16(18)21-14(12)20-15(9)24-11-7-8(22-2)5-6-10(11)23-3/h5-7H,4H2,1-3H3,(H5,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18257 (5-ethyl-6-(phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimi...) Show SMILES CCc1c(Sc2ccccc2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H15N5S/c1-2-9-10-11(15)17-14(16)19-12(10)18-13(9)20-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H5,15,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18256 (5-ethyl-6-[(3-methoxyphenyl)sulfanyl]-7H-pyrrolo[2...) Show SMILES CCc1c(Sc2cccc(OC)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C15H17N5OS/c1-3-10-11-12(16)18-15(17)20-13(11)19-14(10)22-9-6-4-5-8(7-9)21-2/h4-7H,3H2,1-2H3,(H5,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18253 (6-[(2,4-dichlorophenyl)sulfanyl]-5-ethyl-7H-pyrrol...) Show SMILES CCc1c(Sc2ccc(Cl)cc2Cl)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H13Cl2N5S/c1-2-7-10-11(17)19-14(18)21-12(10)20-13(7)22-9-4-3-6(15)5-8(9)16/h3-5H,2H2,1H3,(H5,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18253 (6-[(2,4-dichlorophenyl)sulfanyl]-5-ethyl-7H-pyrrol...) Show SMILES CCc1c(Sc2ccc(Cl)cc2Cl)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H13Cl2N5S/c1-2-7-10-11(17)19-14(18)21-12(10)20-13(7)22-9-4-3-6(15)5-8(9)16/h3-5H,2H2,1H3,(H5,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18258 (5-ethyl-6-(quinolin-8-ylsulfanyl)-7H-pyrrolo[2,3-d...) Show SMILES CCc1c(Sc2cccc3cccnc23)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C17H16N6S/c1-2-10-12-14(18)21-17(19)23-15(12)22-16(10)24-11-7-3-5-9-6-4-8-20-13(9)11/h3-8H,2H2,1H3,(H5,18,19,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18260 (6-[(4-chlorophenyl)sulfanyl]-5-ethyl-7H-pyrrolo[2,...) Show SMILES CCc1c(Sc2ccc(Cl)cc2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14ClN5S/c1-2-9-10-11(16)18-14(17)20-12(10)19-13(9)21-8-5-3-7(15)4-6-8/h3-6H,2H2,1H3,(H5,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18266 (6-[(4-methoxyphenyl)sulfanyl]-5-methyl-7H-pyrrolo[...) Show SMILES COc1ccc(Sc2[nH]c3nc(N)nc(N)c3c2C)cc1 Show InChI InChI=1S/C14H15N5OS/c1-7-10-11(15)17-14(16)19-12(10)18-13(7)21-9-5-3-8(20-2)4-6-9/h3-6H,1-2H3,(H5,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18250 (6-[(4-bromophenyl)sulfanyl]-5-ethyl-7H-pyrrolo[2,3...) Show SMILES CCc1c(Sc2ccc(Br)cc2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14BrN5S/c1-2-9-10-11(16)18-14(17)20-12(10)19-13(9)21-8-5-3-7(15)4-6-8/h3-6H,2H2,1H3,(H5,16,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair

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