Compile Data Set for Download or QSAR

Found 157 hits with Last Name = 'papoulis' and Initial = 'at'   

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))	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
Harvard Medical School Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against rat liver lipophilic Dihydrofolate reductase (DHFR).				J Med Chem 41: 913-8 (1998) Article DOI: 10.1021/jm970614n BindingDB Entry DOI: 10.7270/Q2BR8R9G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50029763 (5-(3,5-Diethoxy-4-pyrrol-1-yl-benzyl)-pyrimidine-2...) Show SMILES CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1 Show InChI InChI=1S/C19H23N5O2/c1-3-25-15-10-13(9-14-12-22-19(21)23-18(14)20)11-16(26-4-2)17(15)24-7-5-6-8-24/h5-8,10-12H,3-4,9H2,1-2H3,(H4,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article 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 Inhibition of rat liver Dihydrofolate Reductase				J Med Chem 40: 3694-9 (1997) Article DOI: 10.1021/jm970399a BindingDB Entry DOI: 10.7270/Q2NG4PQJ
					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
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
Harvard Medical School Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against toxoplasma gondii (T. gondii) Dihydrofolate reductase				J Med Chem 41: 913-8 (1998) Article DOI: 10.1021/jm970614n BindingDB Entry DOI: 10.7270/Q2BR8R9G
					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	PubMed	n/a	n/a	10	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 Toxoplasma gondii.				J Med Chem 42: 4853-60 (1999) BindingDB Entry DOI: 10.7270/Q2S46R5R
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50029763 (5-(3,5-Diethoxy-4-pyrrol-1-yl-benzyl)-pyrimidine-2...) Show SMILES CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1 Show InChI InChI=1S/C19H23N5O2/c1-3-25-15-10-13(9-14-12-22-19(21)23-18(14)20)11-16(26-4-2)17(15)24-7-5-6-8-24/h5-8,10-12H,3-4,9H2,1-2H3,(H4,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of T. gondii Dihydrofolate Reductase				J Med Chem 40: 3694-9 (1997) Article DOI: 10.1021/jm970399a BindingDB Entry DOI: 10.7270/Q2NG4PQJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18506 (6-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8...) Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4ccccc34)cnc2n1 |c:17| Show InChI InChI=1S/C21H17N7/c22-19-18-20(27-21(23)26-19)24-11-15(25-18)12-28-16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)28/h1-11H,12H2,(H4,22,23,24,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	12	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 Mycobacterium avium				J Med Chem 42: 4853-60 (1999) BindingDB Entry DOI: 10.7270/Q2S46R5R
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50082920 (6-Carbazol-9-ylmethyl-pteridine-2,4-diamine | CHEM...) Show SMILES Nc1nc(N)c2nc(Cn3c4ccccc4c4ccccc34)cnc2n1 Show InChI InChI=1S/C19H15N7/c20-17-16-18(25-19(21)24-17)22-9-11(23-16)10-26-14-7-3-1-5-12(14)13-6-2-4-8-15(13)26/h1-9H,10H2,(H4,20,21,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	12	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 Toxoplasma gondii.				J Med Chem 42: 4853-60 (1999) BindingDB Entry DOI: 10.7270/Q2S46R5R
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50074735 (6-(3-(trifluoromethoxy)benzyl)-5,6,7,8-tetrahydroq...) Show SMILES Nc1nc(N)c2CC(Cc3cccc(OC(F)(F)F)c3)CCc2n1 Show InChI InChI=1S/C16H17F3N4O/c17-16(18,19)24-11-3-1-2-9(7-11)6-10-4-5-13-12(8-10)14(20)23-15(21)22-13/h1-3,7,10H,4-6,8H2,(H4,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50074724 (6-(2-Methoxy-benzyl)-5,6,7,8-tetrahydro-quinazolin...) Show SMILES COc1ccccc1CC1CCc2nc(N)nc(N)c2C1 Show InChI InChI=1S/C16H20N4O/c1-21-14-5-3-2-4-11(14)8-10-6-7-13-12(9-10)15(17)20-16(18)19-13/h2-5,10H,6-9H2,1H3,(H4,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
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	15	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against rat liver lipophilic Dihydrofolate reductase (DHFR).				J Med Chem 41: 913-8 (1998) Article DOI: 10.1021/jm970614n BindingDB Entry DOI: 10.7270/Q2BR8R9G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50027970 (5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-di...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br Show InChI InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of rat liver Dihydrofolate Reductase				J Med Chem 40: 3694-9 (1997) Article DOI: 10.1021/jm970399a BindingDB Entry DOI: 10.7270/Q2NG4PQJ
					More data for this Ligand-Target Pair
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	15	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	17	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against toxoplasma gondii (T. gondii) Dihydrofolate reductase				J Med Chem 41: 913-8 (1998) Article DOI: 10.1021/jm970614n BindingDB Entry DOI: 10.7270/Q2BR8R9G
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50027970 (5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-di...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br Show InChI InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of T. gondii Dihydrofolate Reductase				J Med Chem 40: 3694-9 (1997) Article DOI: 10.1021/jm970399a BindingDB Entry DOI: 10.7270/Q2NG4PQJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM50082923 (6-(9H-Acridin-10-ylmethyl)-pteridine-2,4-diamine |...) Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4Cc4ccccc34)cnc2n1 Show InChI InChI=1S/C20H17N7/c21-18-17-19(26-20(22)25-18)23-10-14(24-17)11-27-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)27/h1-8,10H,9,11H2,(H4,21,22,23,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	17	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 Mycobacterium avium				J Med Chem 42: 4853-60 (1999) BindingDB Entry DOI: 10.7270/Q2S46R5R
					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	17	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50074725 (6-tert-Butyl-5,6,7,8-tetrahydro-quinazoline-2,4-di...) Show SMILES CC(C)(C)C1CCc2nc(N)nc(N)c2C1 Show InChI InChI=1S/C12H20N4/c1-12(2,3)7-4-5-9-8(6-7)10(13)16-11(14)15-9/h7H,4-6H2,1-3H3,(H4,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50074718 (6-(3-Methoxy-benzyl)-5,6,7,8-tetrahydro-quinazolin...) Show SMILES COc1cccc(CC2CCc3nc(N)nc(N)c3C2)c1 Show InChI InChI=1S/C16H20N4O/c1-21-12-4-2-3-10(8-12)7-11-5-6-14-13(9-11)15(17)20-16(18)19-14/h2-4,8,11H,5-7,9H2,1H3,(H4,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50074720 (6-(2,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-quinaz...) Show SMILES COc1ccc(OC)c(CC2CCc3nc(N)nc(N)c3C2)c1 Show InChI InChI=1S/C17H22N4O2/c1-22-12-4-6-15(23-2)11(9-12)7-10-3-5-14-13(8-10)16(18)21-17(19)20-14/h4,6,9-10H,3,5,7-8H2,1-2H3,(H4,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50074727 (6-(2-Methyl-benzyl)-5,6,7,8-tetrahydro-quinazoline...) Show SMILES Cc1ccccc1CC1CCc2nc(N)nc(N)c2C1 Show InChI InChI=1S/C16H20N4/c1-10-4-2-3-5-12(10)8-11-6-7-14-13(9-11)15(17)20-16(18)19-14/h2-5,11H,6-9H2,1H3,(H4,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50074719 (6-(3,4-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-quinaz...) Show SMILES COc1ccc(CC2CCc3nc(N)nc(N)c3C2)cc1OC Show InChI InChI=1S/C17H22N4O2/c1-22-14-6-4-11(9-15(14)23-2)7-10-3-5-13-12(8-10)16(18)21-17(19)20-13/h4,6,9-10H,3,5,7-8H2,1-2H3,(H4,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50074721 (6-(3,4,5-Trimethoxy-benzyl)-5,6,7,8-tetrahydro-qui...) Show SMILES COc1cc(CC2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC Show InChI InChI=1S/C18H24N4O3/c1-23-14-8-11(9-15(24-2)16(14)25-3)6-10-4-5-13-12(7-10)17(19)22-18(20)21-13/h8-10H,4-7H2,1-3H3,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50082923 (6-(9H-Acridin-10-ylmethyl)-pteridine-2,4-diamine |...) Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4Cc4ccccc34)cnc2n1 Show InChI InChI=1S/C20H17N7/c21-18-17-19(26-20(22)25-18)23-10-14(24-17)11-27-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)27/h1-8,10H,9,11H2,(H4,21,22,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	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 (Mycobacterium avium)	BDBM50082922 (6-Phenothiazin-10-ylmethyl-pteridine-2,4-diamine |...) Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4Sc4ccccc34)cnc2n1 Show InChI InChI=1S/C19H15N7S/c20-17-16-18(25-19(21)24-17)22-9-11(23-16)10-26-12-5-1-3-7-14(12)27-15-8-4-2-6-13(15)26/h1-9H,10H2,(H4,20,21,22,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	29	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 Mycobacterium avium				J Med Chem 42: 4853-60 (1999) BindingDB Entry DOI: 10.7270/Q2S46R5R
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50082923 (6-(9H-Acridin-10-ylmethyl)-pteridine-2,4-diamine |...) Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4Cc4ccccc34)cnc2n1 Show InChI InChI=1S/C20H17N7/c21-18-17-19(26-20(22)25-18)23-10-14(24-17)11-27-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)27/h1-8,10H,9,11H2,(H4,21,22,23,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	29	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 Toxoplasma gondii.				J Med Chem 42: 4853-60 (1999) BindingDB Entry DOI: 10.7270/Q2S46R5R
					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	31	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against pneumocystis carinii (P. carinii) Dihydrofolate reductase				J Med Chem 41: 913-8 (1998) Article DOI: 10.1021/jm970614n BindingDB Entry DOI: 10.7270/Q2BR8R9G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50027970 (5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-di...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br Show InChI InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of P. carinii Dihydrofolate Reductase				J Med Chem 40: 3694-9 (1997) Article DOI: 10.1021/jm970399a BindingDB Entry DOI: 10.7270/Q2NG4PQJ
					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	31	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50074723 (6-Benzyl-5,6,7,8-tetrahydro-quinazoline-2,4-diamin...) Show SMILES Nc1nc(N)c2CC(Cc3ccccc3)CCc2n1 Show InChI InChI=1S/C15H18N4/c16-14-12-9-11(8-10-4-2-1-3-5-10)6-7-13(12)18-15(17)19-14/h1-5,11H,6-9H2,(H4,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50074720 (6-(2,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-quinaz...) Show SMILES COc1ccc(OC)c(CC2CCc3nc(N)nc(N)c3C2)c1 Show InChI InChI=1S/C17H22N4O2/c1-22-12-4-6-15(23-2)11(9-12)7-10-3-5-14-13(8-10)16(18)21-17(19)20-14/h4,6,9-10H,3,5,7-8H2,1-2H3,(H4,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50074722 (6-(3-Methyl-benzyl)-5,6,7,8-tetrahydro-quinazoline...) Show SMILES Cc1cccc(CC2CCc3nc(N)nc(N)c3C2)c1 Show InChI InChI=1S/C16H20N4/c1-10-3-2-4-11(7-10)8-12-5-6-14-13(9-12)15(17)20-16(18)19-14/h2-4,7,12H,5-6,8-9H2,1H3,(H4,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50074721 (6-(3,4,5-Trimethoxy-benzyl)-5,6,7,8-tetrahydro-qui...) Show SMILES COc1cc(CC2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC Show InChI InChI=1S/C18H24N4O3/c1-23-14-8-11(9-15(24-2)16(14)25-3)6-10-4-5-13-12(7-10)17(19)22-18(20)21-13/h8-10H,4-7H2,1-3H3,(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	38	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50074732 (6-(Tetrahydro-furan-2-ylmethyl)-5,6,7,8-tetrahydro...) Show SMILES Nc1nc(N)c2CC(CC3CCCO3)CCc2n1 Show InChI InChI=1S/C13H20N4O/c14-12-10-7-8(6-9-2-1-5-18-9)3-4-11(10)16-13(15)17-12/h8-9H,1-7H2,(H4,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50029763 (5-(3,5-Diethoxy-4-pyrrol-1-yl-benzyl)-pyrimidine-2...) Show SMILES CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1 Show InChI InChI=1S/C19H23N5O2/c1-3-25-15-10-13(9-14-12-22-19(21)23-18(14)20)11-16(26-4-2)17(15)24-7-5-6-8-24/h5-8,10-12H,3-4,9H2,1-2H3,(H4,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of P. carinii Dihydrofolate Reductase				J Med Chem 40: 3694-9 (1997) Article DOI: 10.1021/jm970399a BindingDB Entry DOI: 10.7270/Q2NG4PQJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50082923 (6-(9H-Acridin-10-ylmethyl)-pteridine-2,4-diamine |...) Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4Cc4ccccc34)cnc2n1 Show InChI InChI=1S/C20H17N7/c21-18-17-19(26-20(22)25-18)23-10-14(24-17)11-27-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)27/h1-8,10H,9,11H2,(H4,21,22,23,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	42	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 Pneumocystis carinii.				J Med Chem 42: 4853-60 (1999) BindingDB Entry DOI: 10.7270/Q2S46R5R
					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	PubMed	n/a	n/a	42	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 Pneumocystis carinii.				J Med Chem 42: 4853-60 (1999) BindingDB Entry DOI: 10.7270/Q2S46R5R
					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
Harvard Medical School Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against pneumocystis carinii (P. carinii) Dihydrofolate reductase				J Med Chem 41: 913-8 (1998) Article DOI: 10.1021/jm970614n BindingDB Entry DOI: 10.7270/Q2BR8R9G
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18506 (6-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8...) Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4ccccc34)cnc2n1 |c:17| Show InChI InChI=1S/C21H17N7/c22-19-18-20(27-21(23)26-19)24-11-15(25-18)12-28-16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)28/h1-11H,12H2,(H4,22,23,24,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	43	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 Toxoplasma gondii.				J Med Chem 42: 4853-60 (1999) BindingDB Entry DOI: 10.7270/Q2S46R5R
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50074728 (6-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroquinazol...) Show SMILES Nc1nc(N)c2CC(Cc3ccsc3)CCc2n1 Show InChI InChI=1S/C13H16N4S/c14-12-10-6-8(5-9-3-4-18-7-9)1-2-11(10)16-13(15)17-12/h3-4,7-8H,1-2,5-6H2,(H4,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50074734 (6-(4-Methoxy-benzyl)-5,6,7,8-tetrahydro-quinazolin...) Show SMILES COc1ccc(CC2CCc3nc(N)nc(N)c3C2)cc1 Show InChI InChI=1S/C16H20N4O/c1-21-12-5-2-10(3-6-12)8-11-4-7-14-13(9-11)15(17)20-16(18)19-14/h2-3,5-6,11H,4,7-9H2,1H3,(H4,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50033539 (6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-5,6,7,8-...) Show SMILES COc1cc(NCC2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC Show InChI InChI=1S/C18H25N5O3/c1-24-14-7-11(8-15(25-2)16(14)26-3)21-9-10-4-5-13-12(6-10)17(19)23-18(20)22-13/h7-8,10,21H,4-6,9H2,1-3H3,(H4,19,20,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50082920 (6-Carbazol-9-ylmethyl-pteridine-2,4-diamine | CHEM...) Show SMILES Nc1nc(N)c2nc(Cn3c4ccccc4c4ccccc34)cnc2n1 Show InChI InChI=1S/C19H15N7/c20-17-16-18(25-19(21)24-17)22-9-11(23-16)10-26-14-7-3-1-5-12(14)13-6-2-4-8-15(13)26/h1-9H,10H2,(H4,20,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	55	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 (Pneumocystis carinii)	BDBM50074720 (6-(2,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-quinaz...) Show SMILES COc1ccc(OC)c(CC2CCc3nc(N)nc(N)c3C2)c1 Show InChI InChI=1S/C17H22N4O2/c1-22-12-4-6-15(23-2)11(9-12)7-10-3-5-14-13(8-10)16(18)21-17(19)20-14/h4,6,9-10H,3,5,7-8H2,1-2H3,(H4,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50074737 (6-Thiophen-2-ylmethyl-5,6,7,8-tetrahydro-quinazoli...) Show SMILES Nc1nc(N)c2CC(Cc3cccs3)CCc2n1 Show InChI InChI=1S/C13H16N4S/c14-12-10-7-8(6-9-2-1-5-18-9)3-4-11(10)16-13(15)17-12/h1-2,5,8H,3-4,6-7H2,(H4,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50074719 (6-(3,4-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-quinaz...) Show SMILES COc1ccc(CC2CCc3nc(N)nc(N)c3C2)cc1OC Show InChI InChI=1S/C17H22N4O2/c1-22-14-6-4-11(9-15(14)23-2)7-10-3-5-13-12(8-10)16(18)21-17(19)20-13/h4,6,9-10H,3,5,7-8H2,1-2H3,(H4,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50074725 (6-tert-Butyl-5,6,7,8-tetrahydro-quinazoline-2,4-di...) Show SMILES CC(C)(C)C1CCc2nc(N)nc(N)c2C1 Show InChI InChI=1S/C12H20N4/c1-12(2,3)7-4-5-9-8(6-7)10(13)16-11(14)15-9/h7H,4-6H2,1-3H3,(H4,13,14,15,16)	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	65	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50074726 (6-(4-(trifluoromethoxy)benzyl)-5,6,7,8-tetrahydroq...) Show SMILES Nc1nc(N)c2CC(Cc3ccc(OC(F)(F)F)cc3)CCc2n1 Show InChI InChI=1S/C16H17F3N4O/c17-16(18,19)24-11-4-1-9(2-5-11)7-10-3-6-13-12(8-10)14(20)23-15(21)22-13/h1-2,4-5,10H,3,6-8H2,(H4,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50074734 (6-(4-Methoxy-benzyl)-5,6,7,8-tetrahydro-quinazolin...) Show SMILES COc1ccc(CC2CCc3nc(N)nc(N)c3C2)cc1 Show InChI InChI=1S/C16H20N4O/c1-21-12-5-2-10(3-6-12)8-11-4-7-14-13(9-11)15(17)20-16(18)19-14/h2-3,5-6,11H,4,7-9H2,1H3,(H4,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50074735 (6-(3-(trifluoromethoxy)benzyl)-5,6,7,8-tetrahydroq...) Show SMILES Nc1nc(N)c2CC(Cc3cccc(OC(F)(F)F)c3)CCc2n1 Show InChI InChI=1S/C16H17F3N4O/c17-16(18,19)24-11-3-1-2-9(7-11)6-10-4-5-13-12(8-10)14(20)23-15(21)22-13/h1-3,7,10H,4-6,8H2,(H4,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair

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