Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50007041   

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 (Rattus norvegicus (rat))	BDBM18224 (6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...) Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Pneumocystis carinii)	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 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	1	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Rattus norvegicus (rat))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18224 (6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...) Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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 Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
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 Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM18224 (6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...) Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035269 (2-{4-[(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c[nH]c2n1 Show InChI InChI=1S/C19H21N7O5/c20-15-14-10(8-23-16(14)26-19(21)25-15)7-22-11-3-1-9(2-4-11)17(29)24-12(18(30)31)5-6-13(27)28/h1-4,8,12,22H,5-7H2,(H,24,29)(H,27,28)(H,30,31)(H5,20,21,23,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
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 Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50057314 (2-({4-[(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-5-y...) Show SMILES CN(Cc1c[nH]c2nc(N)nc(N)c12)c1ccc(cc1)C(=O)N(C)C(CCC(O)=O)C(O)=O Show InChI InChI=1S/C21H25N7O5/c1-27(10-12-9-24-18-16(12)17(22)25-21(23)26-18)13-5-3-11(4-6-13)19(31)28(2)14(20(32)33)7-8-15(29)30/h3-6,9,14H,7-8,10H2,1-2H3,(H,29,30)(H,32,33)(H5,22,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035269 (2-{4-[(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c[nH]c2n1 Show InChI InChI=1S/C19H21N7O5/c20-15-14-10(8-23-16(14)26-19(21)25-15)7-22-11-3-1-9(2-4-11)17(29)24-12(18(30)31)5-6-13(27)28/h1-4,8,12,22H,5-7H2,(H,24,29)(H,27,28)(H,30,31)(H5,20,21,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50057314 (2-({4-[(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-5-y...) Show SMILES CN(Cc1c[nH]c2nc(N)nc(N)c12)c1ccc(cc1)C(=O)N(C)C(CCC(O)=O)C(O)=O Show InChI InChI=1S/C21H25N7O5/c1-27(10-12-9-24-18-16(12)17(22)25-21(23)26-18)13-5-3-11(4-6-13)19(31)28(2)14(20(32)33)7-8-15(29)30/h3-6,9,14H,7-8,10H2,1-2H3,(H,29,30)(H,32,33)(H5,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50057314 (2-({4-[(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-5-y...) Show SMILES CN(Cc1c[nH]c2nc(N)nc(N)c12)c1ccc(cc1)C(=O)N(C)C(CCC(O)=O)C(O)=O Show InChI InChI=1S/C21H25N7O5/c1-27(10-12-9-24-18-16(12)17(22)25-21(23)26-18)13-5-3-11(4-6-13)19(31)28(2)14(20(32)33)7-8-15(29)30/h3-6,9,14H,7-8,10H2,1-2H3,(H,29,30)(H,32,33)(H5,22,23,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035269 (2-{4-[(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c[nH]c2n1 Show InChI InChI=1S/C19H21N7O5/c20-15-14-10(8-23-16(14)26-19(21)25-15)7-22-11-3-1-9(2-4-11)17(29)24-12(18(30)31)5-6-13(27)28/h1-4,8,12,22H,5-7H2,(H,24,29)(H,27,28)(H,30,31)(H5,20,21,23,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50057315 (5-(Naphthalen-1-ylsulfanylmethyl)-7H-pyrrolo[2,3-d...) Show SMILES Nc1nc(N)c2c(CSc3cccc4ccccc34)c[nH]c2n1 Show InChI InChI=1S/C17H15N5S/c18-15-14-11(8-20-16(14)22-17(19)21-15)9-23-13-7-3-5-10-4-1-2-6-12(10)13/h1-8H,9H2,(H5,18,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50057312 (5-[(Methyl-naphthalen-1-yl-amino)-methyl]-7H-pyrro...) Show SMILES CN(Cc1c[nH]c2nc(N)nc(N)c12)c1cccc2ccccc12 Show InChI InChI=1S/C18H18N6/c1-24(14-8-4-6-11-5-2-3-7-13(11)14)10-12-9-21-17-15(12)16(19)22-18(20)23-17/h2-9H,10H2,1H3,(H5,19,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50057313 (5-(((3,4-dichlorophenyl)(methyl)amino)methyl)-7H-p...) Show SMILES CN(Cc1c[nH]c2nc(N)nc(N)c12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H14Cl2N6/c1-22(8-2-3-9(15)10(16)4-8)6-7-5-19-13-11(7)12(17)20-14(18)21-13/h2-5H,6H2,1H3,(H5,17,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035274 (5-(Naphthalen-1-ylaminomethyl)-7H-pyrrolo[2,3-d]py...) Show SMILES Nc1nc(N)c2c(CNc3cccc4ccccc34)c[nH]c2n1 Show InChI InChI=1S/C17H16N6/c18-15-14-11(9-21-16(14)23-17(19)22-15)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,20H,8H2,(H5,18,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035273 (5-((5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl)...) Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)c[nH]c2n1 Show InChI InChI=1S/C13H12Cl2N6/c14-8-2-1-7(3-9(8)15)18-4-6-5-19-12-10(6)11(16)20-13(17)21-12/h1-3,5,18H,4H2,(H5,16,17,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035271 (5-((2,5-dimethoxyphenylamino)methyl)-7H-pyrrolo[2,...) Show SMILES COc1ccc(OC)c(NCc2c[nH]c3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C15H18N6O2/c1-22-9-3-4-11(23-2)10(5-9)18-6-8-7-19-14-12(8)13(16)20-15(17)21-14/h3-5,7,18H,6H2,1-2H3,(H5,16,17,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50057311 (5-((3,4-dimethoxyphenylthio)methyl)-7H-pyrrolo[2,3...) Show SMILES COc1ccc(SCc2c[nH]c3nc(N)nc(N)c23)cc1OC Show InChI InChI=1S/C15H17N5O2S/c1-21-10-4-3-9(5-11(10)22-2)23-7-8-6-18-14-12(8)13(16)19-15(17)20-14/h3-6H,7H2,1-2H3,(H5,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50057315 (5-(Naphthalen-1-ylsulfanylmethyl)-7H-pyrrolo[2,3-d...) Show SMILES Nc1nc(N)c2c(CSc3cccc4ccccc34)c[nH]c2n1 Show InChI InChI=1S/C17H15N5S/c18-15-14-11(8-20-16(14)22-17(19)21-15)9-23-13-7-3-5-10-4-1-2-6-12(10)13/h1-8H,9H2,(H5,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50057313 (5-(((3,4-dichlorophenyl)(methyl)amino)methyl)-7H-p...) Show SMILES CN(Cc1c[nH]c2nc(N)nc(N)c12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H14Cl2N6/c1-22(8-2-3-9(15)10(16)4-8)6-7-5-19-13-11(7)12(17)20-14(18)21-13/h2-5H,6H2,1H3,(H5,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50057316 (5-(((2,5-dimethoxyphenyl)(methyl)amino)methyl)-7H-...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1c[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C16H20N6O2/c1-22(11-6-10(23-2)4-5-12(11)24-3)8-9-7-19-15-13(9)14(17)20-16(18)21-15/h4-7H,8H2,1-3H3,(H5,17,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50057317 (5-((3,4-dichlorophenylthio)methyl)-7H-pyrrolo[2,3-...) Show SMILES Nc1nc(N)c2c(CSc3ccc(Cl)c(Cl)c3)c[nH]c2n1 Show InChI InChI=1S/C13H11Cl2N5S/c14-8-2-1-7(3-9(8)15)21-5-6-4-18-12-10(6)11(16)19-13(17)20-12/h1-4H,5H2,(H5,16,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50057312 (5-[(Methyl-naphthalen-1-yl-amino)-methyl]-7H-pyrro...) Show SMILES CN(Cc1c[nH]c2nc(N)nc(N)c12)c1cccc2ccccc12 Show InChI InChI=1S/C18H18N6/c1-24(14-8-4-6-11-5-2-3-7-13(11)14)10-12-9-21-17-15(12)16(19)22-18(20)23-17/h2-9H,10H2,1H3,(H5,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50057318 (5-(Naphthalen-2-ylsulfanylmethyl)-7H-pyrrolo[2,3-d...) Show SMILES Nc1nc(N)c2c(CSc3ccc4ccccc4c3)c[nH]c2n1 Show InChI InChI=1S/C17H15N5S/c18-15-14-12(8-20-16(14)22-17(19)21-15)9-23-13-6-5-10-3-1-2-4-11(10)7-13/h1-8H,9H2,(H5,18,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50057315 (5-(Naphthalen-1-ylsulfanylmethyl)-7H-pyrrolo[2,3-d...) Show SMILES Nc1nc(N)c2c(CSc3cccc4ccccc34)c[nH]c2n1 Show InChI InChI=1S/C17H15N5S/c18-15-14-11(8-20-16(14)22-17(19)21-15)9-23-13-7-3-5-10-4-1-2-6-12(10)13/h1-8H,9H2,(H5,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50057311 (5-((3,4-dimethoxyphenylthio)methyl)-7H-pyrrolo[2,3...) Show SMILES COc1ccc(SCc2c[nH]c3nc(N)nc(N)c23)cc1OC Show InChI InChI=1S/C15H17N5O2S/c1-21-10-4-3-9(5-11(10)22-2)23-7-8-6-18-14-12(8)13(16)19-15(17)20-14/h3-6H,7H2,1-2H3,(H5,16,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50057317 (5-((3,4-dichlorophenylthio)methyl)-7H-pyrrolo[2,3-...) Show SMILES Nc1nc(N)c2c(CSc3ccc(Cl)c(Cl)c3)c[nH]c2n1 Show InChI InChI=1S/C13H11Cl2N5S/c14-8-2-1-7(3-9(8)15)21-5-6-4-18-12-10(6)11(16)19-13(17)20-12/h1-4H,5H2,(H5,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50057316 (5-(((2,5-dimethoxyphenyl)(methyl)amino)methyl)-7H-...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1c[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C16H20N6O2/c1-22(11-6-10(23-2)4-5-12(11)24-3)8-9-7-19-15-13(9)14(17)20-16(18)21-15/h4-7H,8H2,1-3H3,(H5,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	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/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	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50057316 (5-(((2,5-dimethoxyphenyl)(methyl)amino)methyl)-7H-...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1c[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C16H20N6O2/c1-22(11-6-10(23-2)4-5-12(11)24-3)8-9-7-19-15-13(9)14(17)20-16(18)21-15/h4-7H,8H2,1-3H3,(H5,17,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035273 (5-((5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl)...) Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)c[nH]c2n1 Show InChI InChI=1S/C13H12Cl2N6/c14-8-2-1-7(3-9(8)15)18-4-6-5-19-12-10(6)11(16)20-13(17)21-12/h1-3,5,18H,4H2,(H5,16,17,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50057311 (5-((3,4-dimethoxyphenylthio)methyl)-7H-pyrrolo[2,3...) Show SMILES COc1ccc(SCc2c[nH]c3nc(N)nc(N)c23)cc1OC Show InChI InChI=1S/C15H17N5O2S/c1-21-10-4-3-9(5-11(10)22-2)23-7-8-6-18-14-12(8)13(16)19-15(17)20-14/h3-6H,7H2,1-2H3,(H5,16,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50057313 (5-(((3,4-dichlorophenyl)(methyl)amino)methyl)-7H-p...) Show SMILES CN(Cc1c[nH]c2nc(N)nc(N)c12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H14Cl2N6/c1-22(8-2-3-9(15)10(16)4-8)6-7-5-19-13-11(7)12(17)20-14(18)21-13/h2-5H,6H2,1H3,(H5,17,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035273 (5-((5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl)...) Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)c[nH]c2n1 Show InChI InChI=1S/C13H12Cl2N6/c14-8-2-1-7(3-9(8)15)18-4-6-5-19-12-10(6)11(16)20-13(17)21-12/h1-3,5,18H,4H2,(H5,16,17,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035271 (5-((2,5-dimethoxyphenylamino)methyl)-7H-pyrrolo[2,...) Show SMILES COc1ccc(OC)c(NCc2c[nH]c3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C15H18N6O2/c1-22-9-3-4-11(23-2)10(5-9)18-6-8-7-19-14-12(8)13(16)20-15(17)21-14/h3-5,7,18H,6H2,1-2H3,(H5,16,17,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50057317 (5-((3,4-dichlorophenylthio)methyl)-7H-pyrrolo[2,3-...) Show SMILES Nc1nc(N)c2c(CSc3ccc(Cl)c(Cl)c3)c[nH]c2n1 Show InChI InChI=1S/C13H11Cl2N5S/c14-8-2-1-7(3-9(8)15)21-5-6-4-18-12-10(6)11(16)19-13(17)20-12/h1-4H,5H2,(H5,16,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035274 (5-(Naphthalen-1-ylaminomethyl)-7H-pyrrolo[2,3-d]py...) Show SMILES Nc1nc(N)c2c(CNc3cccc4ccccc34)c[nH]c2n1 Show InChI InChI=1S/C17H16N6/c18-15-14-11(9-21-16(14)23-17(19)22-15)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,20H,8H2,(H5,18,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50057318 (5-(Naphthalen-2-ylsulfanylmethyl)-7H-pyrrolo[2,3-d...) Show SMILES Nc1nc(N)c2c(CSc3ccc4ccccc4c3)c[nH]c2n1 Show InChI InChI=1S/C17H15N5S/c18-15-14-12(8-20-16(14)22-17(19)21-15)9-23-13-6-5-10-3-1-2-4-11(10)7-13/h1-8H,9H2,(H5,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	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 Reactome pathway KEGG UniProtKB/SwissProt 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	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035271 (5-((2,5-dimethoxyphenylamino)methyl)-7H-pyrrolo[2,...) Show SMILES COc1ccc(OC)c(NCc2c[nH]c3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C15H18N6O2/c1-22-9-3-4-11(23-2)10(5-9)18-6-8-7-19-14-12(8)13(16)20-15(17)21-14/h3-5,7,18H,6H2,1-2H3,(H5,16,17,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50057312 (5-[(Methyl-naphthalen-1-yl-amino)-methyl]-7H-pyrro...) Show SMILES CN(Cc1c[nH]c2nc(N)nc(N)c12)c1cccc2ccccc12 Show InChI InChI=1S/C18H18N6/c1-24(14-8-4-6-11-5-2-3-7-13(11)14)10-12-9-21-17-15(12)16(19)22-18(20)23-17/h2-9H,10H2,1H3,(H5,19,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035274 (5-(Naphthalen-1-ylaminomethyl)-7H-pyrrolo[2,3-d]py...) Show SMILES Nc1nc(N)c2c(CNc3cccc4ccccc34)c[nH]c2n1 Show InChI InChI=1S/C17H16N6/c18-15-14-11(9-21-16(14)23-17(19)22-15)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,20H,8H2,(H5,18,19,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.07E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50057318 (5-(Naphthalen-2-ylsulfanylmethyl)-7H-pyrrolo[2,3-d...) Show SMILES Nc1nc(N)c2c(CSc3ccc4ccccc4c3)c[nH]c2n1 Show InChI InChI=1S/C17H15N5S/c18-15-14-12(8-20-16(14)22-17(19)21-15)9-23-13-6-5-10-3-1-2-4-11(10)7-13/h1-8H,9H2,(H5,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.29E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair