Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50035698   

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)	BDBM50022831 (6,7-Dimethyl-pteridine-2,4-diamine | CHEMBL29143) Show SMILES Cc1nc2nc(N)nc(N)c2nc1C Show InChI InChI=1S/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 8				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50022831 (6,7-Dimethyl-pteridine-2,4-diamine | CHEMBL29143) Show SMILES Cc1nc2nc(N)nc(N)c2nc1C Show InChI InChI=1S/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition constant for Tyr31-dihydrofolate reductase (DHFR)-NADPH-Compound complex				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 9.5				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.40E+3	-32.1	n/a	n/a	n/a	n/a	n/a	5.5	25
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50022831 (6,7-Dimethyl-pteridine-2,4-diamine | CHEMBL29143) Show SMILES Cc1nc2nc(N)nc(N)c2nc1C Show InChI InChI=1S/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Dissociation constant at(Koff) Tyr-31 of dihydrofolate reductase (DHFR)				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 8.5				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50022831 (6,7-Dimethyl-pteridine-2,4-diamine | CHEMBL29143) Show SMILES Cc1nc2nc(N)nc(N)c2nc1C Show InChI InChI=1S/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	9.5	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 6				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50422885 (CHEMBL2364573 | NADPH) Show SMILES NC(=O)c1ccc[n+](c1)[C@H]1O[C@@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11+,13-,14+,15-,16+,20-,21+/m0/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	490	n/a	n/a	n/a	8.5	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Association constant (Kon) at Phe-31 of dihydrofolate reductase (DHFR)				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50367343 ((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...) Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 |r| Show InChI InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	810	n/a	n/a	n/a	7.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50367343 ((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...) Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 |r| Show InChI InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	4.40E+3	n/a	n/a	n/a	7.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Dissociation constant at(Koff) Tyr-31 of dihydrofolate reductase (DHFR)				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18044 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropter...) Show SMILES Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=Nc2c(=O)[nH]1 |c:27| Show InChI InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	6.20E+3	n/a	n/a	n/a	8.5	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 8.5				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18044 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropter...) Show SMILES Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=Nc2c(=O)[nH]1 |c:27| Show InChI InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	7.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 8.5				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50022831 (6,7-Dimethyl-pteridine-2,4-diamine | CHEMBL29143) Show SMILES Cc1nc2nc(N)nc(N)c2nc1C Show InChI InChI=1S/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	n/a	n/a	1.20E+7	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Association constant (Kon) at Phe-31 of dihydrofolate reductase (DHFR)				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	n/a	n/a	1.10E+7	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50422885 (CHEMBL2364573 | NADPH) Show SMILES NC(=O)c1ccc[n+](c1)[C@H]1O[C@@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11+,13-,14+,15-,16+,20-,21+/m0/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	340	n/a	n/a	n/a	7.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18044 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropter...) Show SMILES Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=Nc2c(=O)[nH]1 |c:27| Show InChI InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	210	n/a	n/a	n/a	7.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	140	n/a	n/a	n/a	8.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.0960	n/a	n/a	n/a	8.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Association constant(Kon) at Tyr-31 of dihydrofolate reductase (DHFR)				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	9.5	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50022831 (6,7-Dimethyl-pteridine-2,4-diamine | CHEMBL29143) Show SMILES Cc1nc2nc(N)nc(N)c2nc1C Show InChI InChI=1S/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	6.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 8				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50022831 (6,7-Dimethyl-pteridine-2,4-diamine | CHEMBL29143) Show SMILES Cc1nc2nc(N)nc(N)c2nc1C Show InChI InChI=1S/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	6.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 6				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Binding constant(Ki) to dihydrofolate reductase (DHFR) Phe -31 was determined				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	31	n/a	n/a	n/a	9.5	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.0230	n/a	n/a	n/a	6.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 6				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18044 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropter...) Show SMILES Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=Nc2c(=O)[nH]1 |c:27| Show InChI InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	240	n/a	n/a	n/a	8.5	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Dissociation constant at Val-31(Kon)of dihydrofolate reductase (DHFR)				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50022831 (6,7-Dimethyl-pteridine-2,4-diamine | CHEMBL29143) Show SMILES Cc1nc2nc(N)nc(N)c2nc1C Show InChI InChI=1S/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	n/a	n/a	6.80E+6	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50422885 (CHEMBL2364573 | NADPH) Show SMILES NC(=O)c1ccc[n+](c1)[C@H]1O[C@@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11+,13-,14+,15-,16+,20-,21+/m0/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	400	n/a	n/a	n/a	8.5	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 8.5				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18044 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropter...) Show SMILES Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=Nc2c(=O)[nH]1 |c:27| Show InChI InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	8.5	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 6				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	n/a	n/a	1.50E+5	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 9.5				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50422885 (CHEMBL2364573 | NADPH) Show SMILES NC(=O)c1ccc[n+](c1)[C@H]1O[C@@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11+,13-,14+,15-,16+,20-,21+/m0/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	220	n/a	n/a	n/a	7.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Association constant(Kon) at Tyr-31 of dihydrofolate reductase (DHFR)				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50022833 ((S)-2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pte...) Show SMILES Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	7.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 8.5				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50022833 ((S)-2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pte...) Show SMILES Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	60	n/a	n/a	n/a	7.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50422885 (CHEMBL2364573 | NADPH) Show SMILES NC(=O)c1ccc[n+](c1)[C@H]1O[C@@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11+,13-,14+,15-,16+,20-,21+/m0/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	380	n/a	n/a	n/a	7.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Association constant at Val-31(Kon) of dihydrofolate reductase (DHFR)				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50022831 (6,7-Dimethyl-pteridine-2,4-diamine | CHEMBL29143) Show SMILES Cc1nc2nc(N)nc(N)c2nc1C Show InChI InChI=1S/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Binding constant(Ki) to dihydrofolate reductase (DHFR) Val -31 was determined				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	84	n/a	n/a	n/a	8.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Dissociation constant(Koff) at Phe-31 of dihydrofolate reductase (DHFR)				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 8				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	n/a	n/a	3.60E+7	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 6				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	2.30	n/a	n/a	n/a	6.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					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	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	3.20	n/a	n/a	n/a	6.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50422885 (CHEMBL2364573 | NADPH) Show SMILES NC(=O)c1ccc[n+](c1)[C@H]1O[C@@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11+,13-,14+,15-,16+,20-,21+/m0/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	8.5	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18044 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropter...) Show SMILES Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=Nc2c(=O)[nH]1 |c:27| Show InChI InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	6.60E+3	n/a	n/a	n/a	7.0	25
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50367343 ((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...) Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 |r| Show InChI InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	4.80E+3	n/a	n/a	n/a	7.0	25
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50022833 ((S)-2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pte...) Show SMILES Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	7.0	25
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair