Compile Data Set for Download or QSAR

Found 634 hits with Last Name = 'cody' and Initial = 'v'   

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
Thymidylate synthase (Homo sapiens (Human))	BDBM50040861 ((S)-2-(5-(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUIN...) Show SMILES Cc1nc2ccc3ccc(CNc4ccc5C(=O)N(Cc5c4)[C@@H](CCC(O)=O)C(O)=O)cc3c2c(=O)[nH]1 Show InChI InChI=1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of TS by spectrophotometry				Bioorg Med Chem 19: 3585-94 (2011) Article DOI: 10.1016/j.bmc.2011.03.067 BindingDB Entry DOI: 10.7270/Q22V2GGP
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM85093 (CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...) Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1 Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity for dopamine D4 receptor				Bioorg Med Chem Lett 14: 5739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.09.046 BindingDB Entry DOI: 10.7270/Q28K79VJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50155515 (1-(4-Fluoro-phenyl)-4-(3-hydroxy-3-phenyl-8-aza-bi...) Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1 |TLB:0:1:8:4.5,9:8:1.7.2:4.5| Show InChI InChI=1S/C23H26FNO2/c24-19-10-8-17(9-11-19)22(26)7-4-14-25-20-12-13-21(25)16-23(27,15-20)18-5-2-1-3-6-18/h1-3,5-6,8-11,20-21,27H,4,7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity for dopamine D2 receptor				Bioorg Med Chem Lett 14: 5739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.09.046 BindingDB Entry DOI: 10.7270/Q28K79VJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50028549 (Adamantane-1-carboxylic acid (2,4-diamino-6-methyl...) Show SMILES Cc1nc(N)nc(N)c1NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:15:16:20:13.14.19,19:14:21:20.18.17,19:18:21:13.14.15,THB:15:14:20:21.16.17| Show InChI InChI=1S/C16H23N5O/c1-8-12(13(17)21-15(18)19-8)20-14(22)16-5-9-2-10(6-16)4-11(3-9)7-16/h9-11H,2-7H2,1H3,(H,20,22)(H4,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of mammalian dihydrofolate reductase				J Med Chem 25: 427-30 (1982) BindingDB Entry DOI: 10.7270/Q20P10KH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50155520 (4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22ClFN2O/c21-17-5-9-19(10-6-17)24-14-12-23(13-15-24)11-1-2-20(25)16-3-7-18(22)8-4-16/h3-10H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity for dopamine D4 receptor				Bioorg Med Chem Lett 14: 5739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.09.046 BindingDB Entry DOI: 10.7270/Q28K79VJ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50155515 (1-(4-Fluoro-phenyl)-4-(3-hydroxy-3-phenyl-8-aza-bi...) Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1 |TLB:0:1:8:4.5,9:8:1.7.2:4.5| Show InChI InChI=1S/C23H26FNO2/c24-19-10-8-17(9-11-19)22(26)7-4-14-25-20-12-13-21(25)16-23(27,15-20)18-5-2-1-3-6-18/h1-3,5-6,8-11,20-21,27H,4,7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity for dopamine D4 receptor				Bioorg Med Chem Lett 14: 5739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.09.046 BindingDB Entry DOI: 10.7270/Q28K79VJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50061255 (1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15| Show InChI InChI=1S/C23H26FNO/c24-20-10-8-18(9-11-20)23(26)7-4-14-25-21-12-13-22(25)16-19(15-21)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21-22H,4,7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity for dopamine D2 receptor				Bioorg Med Chem Lett 14: 5739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.09.046 BindingDB Entry DOI: 10.7270/Q28K79VJ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061255 (1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15| Show InChI InChI=1S/C23H26FNO/c24-20-10-8-18(9-11-20)23(26)7-4-14-25-21-12-13-22(25)16-19(15-21)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21-22H,4,7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	177	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity for dopamine D4 receptor				Bioorg Med Chem Lett 14: 5739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.09.046 BindingDB Entry DOI: 10.7270/Q28K79VJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50155523 (4-[3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]oct-8-y...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccc(Cl)cc1 |TLB:11:12:18.19.17:14.15| Show InChI InChI=1S/C23H25ClFNO/c24-19-7-3-16(4-8-19)18-14-21-11-12-22(15-18)26(21)13-1-2-23(27)17-5-9-20(25)10-6-17/h3-10,18,21-22H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity for dopamine D2 receptor				Bioorg Med Chem Lett 14: 5739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.09.046 BindingDB Entry DOI: 10.7270/Q28K79VJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50155520 (4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22ClFN2O/c21-17-5-9-19(10-6-17)24-14-12-23(13-15-24)11-1-2-20(25)16-3-7-18(22)8-4-16/h3-10H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	254	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity for dopamine D2 receptor				Bioorg Med Chem Lett 14: 5739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.09.046 BindingDB Entry DOI: 10.7270/Q28K79VJ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50155523 (4-[3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]oct-8-y...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccc(Cl)cc1 |TLB:11:12:18.19.17:14.15| Show InChI InChI=1S/C23H25ClFNO/c24-19-7-3-16(4-8-19)18-14-21-11-12-22(15-18)26(21)13-1-2-23(27)17-5-9-20(25)10-6-17/h3-10,18,21-22H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	345	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity for dopamine D4 receptor				Bioorg Med Chem Lett 14: 5739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.09.046 BindingDB Entry DOI: 10.7270/Q28K79VJ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50155517 (2-[3-(4-Chloro-phenyl)-3-hydroxy-8-aza-bicyclo[3.2...) Show SMILES OC1(CC2CCC(C1)N2CC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:0:1:8:4.5,9:8:1.7.2:4.5| Show InChI InChI=1S/C21H21ClFNO2/c22-16-5-3-15(4-6-16)21(26)11-18-9-10-19(12-21)24(18)13-20(25)14-1-7-17(23)8-2-14/h1-8,18-19,26H,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	789	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity for dopamine D4 receptor				Bioorg Med Chem Lett 14: 5739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.09.046 BindingDB Entry DOI: 10.7270/Q28K79VJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM85093 (CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...) Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1 Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity for dopamine D2 receptor				Bioorg Med Chem Lett 14: 5739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.09.046 BindingDB Entry DOI: 10.7270/Q28K79VJ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50155516 (3-(4-Chloro-phenyl)-8-(4-fluoro-benzyl)-8-aza-bicy...) Show SMILES OC1(CC2CCC(C1)N2Cc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.7.2:4.5,0:1:8:4.5| Show InChI InChI=1S/C20H21ClFNO/c21-16-5-3-15(4-6-16)20(24)11-18-9-10-19(12-20)23(18)13-14-1-7-17(22)8-2-14/h1-8,18-19,24H,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity for dopamine D4 receptor				Bioorg Med Chem Lett 14: 5739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.09.046 BindingDB Entry DOI: 10.7270/Q28K79VJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50155516 (3-(4-Chloro-phenyl)-8-(4-fluoro-benzyl)-8-aza-bicy...) Show SMILES OC1(CC2CCC(C1)N2Cc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.7.2:4.5,0:1:8:4.5| Show InChI InChI=1S/C20H21ClFNO/c21-16-5-3-15(4-6-16)20(24)11-18-9-10-19(12-20)23(18)13-14-1-7-17(22)8-2-14/h1-8,18-19,24H,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity for dopamine D2 receptor				Bioorg Med Chem Lett 14: 5739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.09.046 BindingDB Entry DOI: 10.7270/Q28K79VJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50155517 (2-[3-(4-Chloro-phenyl)-3-hydroxy-8-aza-bicyclo[3.2...) Show SMILES OC1(CC2CCC(C1)N2CC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:0:1:8:4.5,9:8:1.7.2:4.5| Show InChI InChI=1S/C21H21ClFNO2/c22-16-5-3-15(4-6-16)21(26)11-18-9-10-19(12-21)24(18)13-20(25)14-1-7-17(23)8-2-14/h1-8,18-19,26H,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity for dopamine D2 receptor				Bioorg Med Chem Lett 14: 5739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.09.046 BindingDB Entry DOI: 10.7270/Q28K79VJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50028550 (6-Methyl-5-naphthalen-1-yl-pyrimidine-2,4-diamine;...) Show SMILES Cc1nc(N)nc(N)c1-c1cccc2ccccc12 |(6.16,-5.11,;4.82,-4.34,;3.47,-5.11,;2.16,-4.34,;.81,-5.11,;2.16,-2.8,;3.47,-2.03,;3.47,-.49,;4.82,-2.8,;6.13,-2,;7.16,-3.15,;8.66,-2.83,;9.14,-1.39,;8.12,-.24,;8.6,1.24,;7.61,2.36,;6.1,2.04,;5.59,.6,;6.61,-.56,)| Show InChI InChI=1S/C15H14N4/c1-9-13(14(16)19-15(17)18-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H4,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of mammalian Dihydrofolate reductase				J Med Chem 25: 427-30 (1982) BindingDB Entry DOI: 10.7270/Q20P10KH
					More data for this Ligand-Target Pair
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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human recombinant DHFR				J Med Chem 56: 4422-41 (2013) Article DOI: 10.1021/jm400086g BindingDB Entry DOI: 10.7270/Q2F47QH3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human recombinant DHFR expressed in Escherichia coli Rosetta Gami B (DE3) competent cells using DHFA as substrate and NADPH				Bioorg Med Chem 26: 2640-2650 (2018) Article DOI: 10.1016/j.bmc.2018.04.032 BindingDB Entry DOI: 10.7270/Q2QJ7KXF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in consumption of NADPH using 9 uM DHFA as substrate				Bioorg Med Chem Lett 29: 1874-1880 (2019) Article DOI: 10.1016/j.bmcl.2019.06.004 BindingDB Entry DOI: 10.7270/Q2P84GBC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM31777 (thieno[2,3-d]pyrimidine deriv., 2) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H20N4O6S2/c1-2-12-15(14-17(28)23-20(21)24-18(14)32-12)31-10-5-3-9(4-6-10)16(27)22-11(19(29)30)7-8-13(25)26/h3-6,11H,2,7-8H2,1H3,(H,22,27)(H,25,26)(H,29,30)(H3,21,23,24,28)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...				J Med Chem 52: 4892-902 (2009) Article DOI: 10.1021/jm900490a BindingDB Entry DOI: 10.7270/Q2CR5RPK
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	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 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 Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in consumption of NADPH using 18 uM DHFA as substrate				Bioorg Med Chem Lett 29: 1874-1880 (2019) Article DOI: 10.1016/j.bmcl.2019.06.004 BindingDB Entry DOI: 10.7270/Q2P84GBC
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	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 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 Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human recombinant DHFR				J Med Chem 56: 4422-41 (2013) Article DOI: 10.1021/jm400086g BindingDB Entry DOI: 10.7270/Q2F47QH3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50066495 (CHEMBL113816 | N*6*-(3,5-Dimethoxy-benzyl)-N*6*-me...) Show SMILES COc1cc(CN(C)c2ccc3nc(N)nc(N)c3c2)cc(OC)c1 Show InChI InChI=1S/C18H21N5O2/c1-23(10-11-6-13(24-2)9-14(7-11)25-3)12-4-5-16-15(8-12)17(19)22-18(20)21-16/h4-9H,10H2,1-3H3,(H4,19,20,21,22)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR)				J Med Chem 41: 3426-34 (1998) Article DOI: 10.1021/jm980081y BindingDB Entry DOI: 10.7270/Q27H1HQZ
					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	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity of the compound against DHFR (Dihydrofolate reductase) from Rat liver				J Med Chem 42: 4853-60 (1999) BindingDB Entry DOI: 10.7270/Q2S46R5R
					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 Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase from rat liver				J Med Chem 41: 1263-71 (1998) Article DOI: 10.1021/jm970537w BindingDB Entry DOI: 10.7270/Q2J965J6
					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 Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase from rat liver (rlDHFR)				J Med Chem 41: 3426-34 (1998) Article DOI: 10.1021/jm980081y BindingDB Entry DOI: 10.7270/Q27H1HQZ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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 of human recombinant DHFR				J Med Chem 56: 4422-41 (2013) Article DOI: 10.1021/jm400086g BindingDB Entry DOI: 10.7270/Q2F47QH3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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 of recombinant human DHFR assessed as reduction in consumption of NADPH using 18 uM DHFA as substrate				Bioorg Med Chem Lett 29: 1874-1880 (2019) Article DOI: 10.1016/j.bmcl.2019.06.004 BindingDB Entry DOI: 10.7270/Q2P84GBC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50066490 (2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLA...) Show SMILES COc1ccc(OC)c(CN(C)c2ccc3nc(N)nc(N)c3c2)c1 Show InChI InChI=1S/C18H21N5O2/c1-23(10-11-8-13(24-2)5-7-16(11)25-3)12-4-6-15-14(9-12)17(19)22-18(20)21-15/h4-9H,10H2,1-3H3,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)				J Med Chem 41: 3426-34 (1998) Article DOI: 10.1021/jm980081y BindingDB Entry DOI: 10.7270/Q27H1HQZ
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50066490 (2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLA...) Show SMILES COc1ccc(OC)c(CN(C)c2ccc3nc(N)nc(N)c3c2)c1 Show InChI InChI=1S/C18H21N5O2/c1-23(10-11-8-13(24-2)5-7-16(11)25-3)12-4-6-15-14(9-12)17(19)22-18(20)21-15/h4-9H,10H2,1-3H3,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)				J Med Chem 41: 3426-34 (1998) Article DOI: 10.1021/jm980081y BindingDB Entry DOI: 10.7270/Q27H1HQZ
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50066496 (CHEMBL115804 | N*6*-(2,4-Dimethoxy-benzyl)-N*6*-me...) Show SMILES COc1ccc(CN(C)c2ccc3nc(N)nc(N)c3c2)c(OC)c1 Show InChI InChI=1S/C18H21N5O2/c1-23(10-11-4-6-13(24-2)9-16(11)25-3)12-5-7-15-14(8-12)17(19)22-18(20)21-15/h4-9H,10H2,1-3H3,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)				J Med Chem 41: 3426-34 (1998) Article DOI: 10.1021/jm980081y BindingDB Entry DOI: 10.7270/Q27H1HQZ
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50066497 (CHEMBL114354 | N*6*-Methyl-N*6*-(5,6,7,8-tetrahydr...) Show SMILES CN(Cc1cccc2CCCCc12)c1ccc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C20H23N5/c1-25(12-14-7-4-6-13-5-2-3-8-16(13)14)15-9-10-18-17(11-15)19(21)24-20(22)23-18/h4,6-7,9-11H,2-3,5,8,12H2,1H3,(H4,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)				J Med Chem 41: 3426-34 (1998) Article DOI: 10.1021/jm980081y BindingDB Entry DOI: 10.7270/Q27H1HQZ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50433813 (CHEMBL2382330) Show SMILES COc1cc(cc(OC)c1OC)N(C)c1cnc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C17H20N6O3/c1-23(9-6-12(24-2)14(26-4)13(7-9)25-3)10-5-11-15(18)21-17(19)22-16(11)20-8-10/h5-8H,1-4H3,(H4,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human recombinant DHFR				J Med Chem 56: 4422-41 (2013) Article DOI: 10.1021/jm400086g BindingDB Entry DOI: 10.7270/Q2F47QH3
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50066495 (CHEMBL113816 | N*6*-(3,5-Dimethoxy-benzyl)-N*6*-me...) Show SMILES COc1cc(CN(C)c2ccc3nc(N)nc(N)c3c2)cc(OC)c1 Show InChI InChI=1S/C18H21N5O2/c1-23(10-11-6-13(24-2)9-14(7-11)25-3)12-4-5-16-15(8-12)17(19)22-18(20)21-16/h4-9H,10H2,1-3H3,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)				J Med Chem 41: 3426-34 (1998) Article DOI: 10.1021/jm980081y BindingDB Entry DOI: 10.7270/Q27H1HQZ
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50066495 (CHEMBL113816 | N*6*-(3,5-Dimethoxy-benzyl)-N*6*-me...) Show SMILES COc1cc(CN(C)c2ccc3nc(N)nc(N)c3c2)cc(OC)c1 Show InChI InChI=1S/C18H21N5O2/c1-23(10-11-6-13(24-2)9-14(7-11)25-3)12-4-5-16-15(8-12)17(19)22-18(20)21-16/h4-9H,10H2,1-3H3,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)				J Med Chem 41: 3426-34 (1998) Article DOI: 10.1021/jm980081y BindingDB Entry DOI: 10.7270/Q27H1HQZ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50433814 (CHEMBL2382329) Show SMILES COc1ccc(OC)c(c1)N(C)c1cnc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C16H18N6O2/c1-22(12-7-10(23-2)4-5-13(12)24-3)9-6-11-14(17)20-16(18)21-15(11)19-8-9/h4-8H,1-3H3,(H4,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human recombinant DHFR				J Med Chem 56: 4422-41 (2013) Article DOI: 10.1021/jm400086g BindingDB Entry DOI: 10.7270/Q2F47QH3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50066497 (CHEMBL114354 | N*6*-Methyl-N*6*-(5,6,7,8-tetrahydr...) Show SMILES CN(Cc1cccc2CCCCc12)c1ccc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C20H23N5/c1-25(12-14-7-4-6-13-5-2-3-8-16(13)14)15-9-10-18-17(11-15)19(21)24-20(22)23-18/h4,6-7,9-11H,2-3,5,8,12H2,1H3,(H4,21,22,23,24)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR)				J Med Chem 41: 3426-34 (1998) Article DOI: 10.1021/jm980081y BindingDB Entry DOI: 10.7270/Q27H1HQZ
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50066485 (CHEMBL117750 | N*6*-Methyl-N*6*-(2,3,4-trimethoxy-...) Show SMILES COc1ccc(CN(C)c2ccc3nc(N)nc(N)c3c2)c(OC)c1OC Show InChI InChI=1S/C19H23N5O3/c1-24(10-11-5-8-15(25-2)17(27-4)16(11)26-3)12-6-7-14-13(9-12)18(20)23-19(21)22-14/h5-9H,10H2,1-4H3,(H4,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)				J Med Chem 41: 3426-34 (1998) Article DOI: 10.1021/jm980081y BindingDB Entry DOI: 10.7270/Q27H1HQZ
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50066485 (CHEMBL117750 | N*6*-Methyl-N*6*-(2,3,4-trimethoxy-...) Show SMILES COc1ccc(CN(C)c2ccc3nc(N)nc(N)c3c2)c(OC)c1OC Show InChI InChI=1S/C19H23N5O3/c1-24(10-11-5-8-15(25-2)17(27-4)16(11)26-3)12-6-7-14-13(9-12)18(20)23-19(21)22-14/h5-9H,10H2,1-4H3,(H4,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)				J Med Chem 41: 3426-34 (1998) Article DOI: 10.1021/jm980081y BindingDB Entry DOI: 10.7270/Q27H1HQZ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50433809 (CHEMBL2382334) Show SMILES CN(c1cnc2nc(N)nc(N)c2c1)c1cccc2ccccc12 Show InChI InChI=1S/C18H16N6/c1-24(15-8-4-6-11-5-2-3-7-13(11)15)12-9-14-16(19)22-18(20)23-17(14)21-10-12/h2-10H,1H3,(H4,19,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human recombinant DHFR				J Med Chem 56: 4422-41 (2013) Article DOI: 10.1021/jm400086g BindingDB Entry DOI: 10.7270/Q2F47QH3
					More data for this Ligand-Target Pair
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 PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against isolated Escherichia coli Dihydrofolate reductase				J Med Chem 43: 3837-51 (2000) BindingDB Entry DOI: 10.7270/Q2S1835M
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)				J Med Chem 41: 3426-34 (1998) Article DOI: 10.1021/jm980081y BindingDB Entry DOI: 10.7270/Q27H1HQZ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50066490 (2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLA...) Show SMILES COc1ccc(OC)c(CN(C)c2ccc3nc(N)nc(N)c3c2)c1 Show InChI InChI=1S/C18H21N5O2/c1-23(10-11-8-13(24-2)5-7-16(11)25-3)12-4-6-15-14(9-12)17(19)22-18(20)21-15/h4-9H,10H2,1-3H3,(H4,19,20,21,22)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR)				J Med Chem 41: 3426-34 (1998) Article DOI: 10.1021/jm980081y BindingDB Entry DOI: 10.7270/Q27H1HQZ
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM31776 (thieno[2,3-d]pyrimidine deriv., 1) Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H18N4O6S2/c1-8-14(13-16(27)22-19(20)23-17(13)30-8)31-10-4-2-9(3-5-10)15(26)21-11(18(28)29)6-7-12(24)25/h2-5,11H,6-7H2,1H3,(H,21,26)(H,24,25)(H,28,29)(H3,20,22,23,27)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...				J Med Chem 52: 4892-902 (2009) Article DOI: 10.1021/jm900490a BindingDB Entry DOI: 10.7270/Q2CR5RPK
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50066485 (CHEMBL117750 | N*6*-Methyl-N*6*-(2,3,4-trimethoxy-...) Show SMILES COc1ccc(CN(C)c2ccc3nc(N)nc(N)c3c2)c(OC)c1OC Show InChI InChI=1S/C19H23N5O3/c1-24(10-11-5-8-15(25-2)17(27-4)16(11)26-3)12-6-7-14-13(9-12)18(20)23-19(21)22-14/h5-9H,10H2,1-4H3,(H4,20,21,22,23)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR)				J Med Chem 41: 3426-34 (1998) Article DOI: 10.1021/jm980081y BindingDB Entry DOI: 10.7270/Q27H1HQZ
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM31782 (thieno[2,3-d]pyrimidine deriv., 2e) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3OS2/c1-2-9-11(21-6-3-4-7(15)8(16)5-6)10-12(20)18-14(17)19-13(10)22-9/h3-5H,2H2,1H3,(H3,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...				J Med Chem 52: 4892-902 (2009) Article DOI: 10.1021/jm900490a BindingDB Entry DOI: 10.7270/Q2CR5RPK
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50066495 (CHEMBL113816 | N*6*-(3,5-Dimethoxy-benzyl)-N*6*-me...) Show SMILES COc1cc(CN(C)c2ccc3nc(N)nc(N)c3c2)cc(OC)c1 Show InChI InChI=1S/C18H21N5O2/c1-23(10-11-6-13(24-2)9-14(7-11)25-3)12-4-5-16-15(8-12)17(19)22-18(20)21-16/h4-9H,10H2,1-3H3,(H4,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase from rat liver (rlDHFR)				J Med Chem 41: 3426-34 (1998) Article DOI: 10.1021/jm980081y BindingDB Entry DOI: 10.7270/Q27H1HQZ
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM31784 (thieno[2,3-d]pyrimidine deriv., 2g) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1 Show InChI InChI=1S/C18H15N3OS2/c1-2-13-15(14-16(22)20-18(19)21-17(14)24-13)23-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3,(H3,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...				J Med Chem 52: 4892-902 (2009) Article DOI: 10.1021/jm900490a BindingDB Entry DOI: 10.7270/Q2CR5RPK
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM31780 (thieno[2,3-d]pyrimidine deriv., 2c) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C14H12N4O3S2/c1-2-9-11(10-12(19)16-14(15)17-13(10)23-9)22-8-5-3-7(4-6-8)18(20)21/h3-6H,2H2,1H3,(H3,15,16,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...				J Med Chem 52: 4892-902 (2009) Article DOI: 10.1021/jm900490a BindingDB Entry DOI: 10.7270/Q2CR5RPK
					More data for this Ligand-Target Pair

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