Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50036299   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18224 (6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...) Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50031871 (5-Chloro-6-[(3,4,5-trimethoxy-phenylamino)-methyl]...) Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC Show InChI InChI=1S/C18H20ClN5O3/c1-25-12-6-10(7-13(26-2)16(12)27-3)22-8-9-4-5-11-14(15(9)19)17(20)24-18(21)23-11/h4-7,22H,8H2,1-3H3,(H4,20,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50031871 (5-Chloro-6-[(3,4,5-trimethoxy-phenylamino)-methyl]...) Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC Show InChI InChI=1S/C18H20ClN5O3/c1-25-12-6-10(7-13(26-2)16(12)27-3)22-8-9-4-5-11-14(15(9)19)17(20)24-18(21)23-11/h4-7,22H,8H2,1-3H3,(H4,20,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035481 (5-Chloro-N*6*-(3,4,5-trimethoxy-benzyl)-quinazolin...) Show SMILES COc1cc(CNc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC Show InChI InChI=1S/C18H20ClN5O3/c1-25-12-6-9(7-13(26-2)16(12)27-3)8-22-11-5-4-10-14(15(11)19)17(20)24-18(21)23-10/h4-7,22H,8H2,1-3H3,(H4,20,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50031865 (5-Chloro-6-{[methyl-(3,4,5-trimethoxy-phenyl)-amin...) Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2c1Cl Show InChI InChI=1S/C19H22ClN5O3/c1-25(11-7-13(26-2)17(28-4)14(8-11)27-3)9-10-5-6-12-15(16(10)20)18(21)24-19(22)23-12/h5-8H,9H2,1-4H3,(H4,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035481 (5-Chloro-N*6*-(3,4,5-trimethoxy-benzyl)-quinazolin...) Show SMILES COc1cc(CNc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC Show InChI InChI=1S/C18H20ClN5O3/c1-25-12-6-9(7-13(26-2)16(12)27-3)8-22-11-5-4-10-14(15(11)19)17(20)24-18(21)23-10/h4-7,22H,8H2,1-3H3,(H4,20,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					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
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50031865 (5-Chloro-6-{[methyl-(3,4,5-trimethoxy-phenyl)-amin...) Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2c1Cl Show InChI InChI=1S/C19H22ClN5O3/c1-25(11-7-13(26-2)17(28-4)14(8-11)27-3)9-10-5-6-12-15(16(10)20)18(21)24-19(22)23-12/h5-8H,9H2,1-4H3,(H4,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50031865 (5-Chloro-6-{[methyl-(3,4,5-trimethoxy-phenyl)-amin...) Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2c1Cl Show InChI InChI=1S/C19H22ClN5O3/c1-25(11-7-13(26-2)17(28-4)14(8-11)27-3)9-10-5-6-12-15(16(10)20)18(21)24-19(22)23-12/h5-8H,9H2,1-4H3,(H4,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035484 (5-Chloro-N*6*-methyl-N*6*-(3,4,5-trimethoxy-benzyl...) Show SMILES COc1cc(CN(C)c2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC Show InChI InChI=1S/C19H22ClN5O3/c1-25(9-10-7-13(26-2)17(28-4)14(8-10)27-3)12-6-5-11-15(16(12)20)18(21)24-19(22)23-11/h5-8H,9H2,1-4H3,(H4,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					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	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035483 (5-Chloro-N*6*-(2,5-dimethoxy-benzyl)-quinazoline-2...) Show SMILES COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2Cl)c1 Show InChI InChI=1S/C17H18ClN5O2/c1-24-10-3-6-13(25-2)9(7-10)8-21-12-5-4-11-14(15(12)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035483 (5-Chloro-N*6*-(2,5-dimethoxy-benzyl)-quinazoline-2...) Show SMILES COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2Cl)c1 Show InChI InChI=1S/C17H18ClN5O2/c1-24-10-3-6-13(25-2)9(7-10)8-21-12-5-4-11-14(15(12)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50031873 (5-Chloro-6-[(2,5-dimethoxy-phenylamino)-methyl]-qu...) Show SMILES COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3c2Cl)c1 Show InChI InChI=1S/C17H18ClN5O2/c1-24-10-4-6-13(25-2)12(7-10)21-8-9-3-5-11-14(15(9)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					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	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035481 (5-Chloro-N*6*-(3,4,5-trimethoxy-benzyl)-quinazolin...) Show SMILES COc1cc(CNc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC Show InChI InChI=1S/C18H20ClN5O3/c1-25-12-6-9(7-13(26-2)16(12)27-3)8-22-11-5-4-10-14(15(11)19)17(20)24-18(21)23-10/h4-7,22H,8H2,1-3H3,(H4,20,21,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50031871 (5-Chloro-6-[(3,4,5-trimethoxy-phenylamino)-methyl]...) Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC Show InChI InChI=1S/C18H20ClN5O3/c1-25-12-6-10(7-13(26-2)16(12)27-3)22-8-9-4-5-11-14(15(9)19)17(20)24-18(21)23-11/h4-7,22H,8H2,1-3H3,(H4,20,21,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035484 (5-Chloro-N*6*-methyl-N*6*-(3,4,5-trimethoxy-benzyl...) Show SMILES COc1cc(CN(C)c2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC Show InChI InChI=1S/C19H22ClN5O3/c1-25(9-10-7-13(26-2)17(28-4)14(8-10)27-3)12-6-5-11-15(16(12)20)18(21)24-19(22)23-11/h5-8H,9H2,1-4H3,(H4,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					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
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50031873 (5-Chloro-6-[(2,5-dimethoxy-phenylamino)-methyl]-qu...) Show SMILES COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3c2Cl)c1 Show InChI InChI=1S/C17H18ClN5O2/c1-24-10-4-6-13(25-2)12(7-10)21-8-9-3-5-11-14(15(9)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50031873 (5-Chloro-6-[(2,5-dimethoxy-phenylamino)-methyl]-qu...) Show SMILES COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3c2Cl)c1 Show InChI InChI=1S/C17H18ClN5O2/c1-24-10-4-6-13(25-2)12(7-10)21-8-9-3-5-11-14(15(9)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035483 (5-Chloro-N*6*-(2,5-dimethoxy-benzyl)-quinazoline-2...) Show SMILES COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2Cl)c1 Show InChI InChI=1S/C17H18ClN5O2/c1-24-10-3-6-13(25-2)9(7-10)8-21-12-5-4-11-14(15(12)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035484 (5-Chloro-N*6*-methyl-N*6*-(3,4,5-trimethoxy-benzyl...) Show SMILES COc1cc(CN(C)c2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC Show InChI InChI=1S/C19H22ClN5O3/c1-25(9-10-7-13(26-2)17(28-4)14(8-10)27-3)12-6-5-11-15(16(12)20)18(21)24-19(22)23-11/h5-8H,9H2,1-4H3,(H4,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035478 (5-Chloro-N*6*-[2-(2,5-dimethoxy-phenyl)-ethyl]-qui...) Show SMILES COc1ccc(OC)c(CCNc2ccc3nc(N)nc(N)c3c2Cl)c1 Show InChI InChI=1S/C18H20ClN5O2/c1-25-11-3-6-14(26-2)10(9-11)7-8-22-13-5-4-12-15(16(13)19)17(20)24-18(21)23-12/h3-6,9,22H,7-8H2,1-2H3,(H4,20,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035479 (5-Chloro-N*6*-[3-(2,5-dimethoxy-phenyl)-propyl]-qu...) Show SMILES COc1ccc(OC)c(CCCNc2ccc3nc(N)nc(N)c3c2Cl)c1 Show InChI InChI=1S/C19H22ClN5O2/c1-26-12-5-8-15(27-2)11(10-12)4-3-9-23-14-7-6-13-16(17(14)20)18(21)25-19(22)24-13/h5-8,10,23H,3-4,9H2,1-2H3,(H4,21,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035479 (5-Chloro-N*6*-[3-(2,5-dimethoxy-phenyl)-propyl]-qu...) Show SMILES COc1ccc(OC)c(CCCNc2ccc3nc(N)nc(N)c3c2Cl)c1 Show InChI InChI=1S/C19H22ClN5O2/c1-26-12-5-8-15(27-2)11(10-12)4-3-9-23-14-7-6-13-16(17(14)20)18(21)25-19(22)24-13/h5-8,10,23H,3-4,9H2,1-2H3,(H4,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035478 (5-Chloro-N*6*-[2-(2,5-dimethoxy-phenyl)-ethyl]-qui...) Show SMILES COc1ccc(OC)c(CCNc2ccc3nc(N)nc(N)c3c2Cl)c1 Show InChI InChI=1S/C18H20ClN5O2/c1-25-11-3-6-14(26-2)10(9-11)7-8-22-13-5-4-12-15(16(13)19)17(20)24-18(21)23-12/h3-6,9,22H,7-8H2,1-2H3,(H4,20,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035482 (5-Chloro-N*6*-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-...) Show SMILES COc1cc(CCNc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC Show InChI InChI=1S/C19H22ClN5O3/c1-26-13-8-10(9-14(27-2)17(13)28-3)6-7-23-12-5-4-11-15(16(12)20)18(21)25-19(22)24-11/h4-5,8-9,23H,6-7H2,1-3H3,(H4,21,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	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	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035482 (5-Chloro-N*6*-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-...) Show SMILES COc1cc(CCNc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC Show InChI InChI=1S/C19H22ClN5O3/c1-26-13-8-10(9-14(27-2)17(13)28-3)6-7-23-12-5-4-11-15(16(12)20)18(21)25-19(22)24-11/h4-5,8-9,23H,6-7H2,1-3H3,(H4,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035478 (5-Chloro-N*6*-[2-(2,5-dimethoxy-phenyl)-ethyl]-qui...) Show SMILES COc1ccc(OC)c(CCNc2ccc3nc(N)nc(N)c3c2Cl)c1 Show InChI InChI=1S/C18H20ClN5O2/c1-25-11-3-6-14(26-2)10(9-11)7-8-22-13-5-4-12-15(16(13)19)17(20)24-18(21)23-12/h3-6,9,22H,7-8H2,1-2H3,(H4,20,21,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035480 (5-Chloro-N*6*-[3-(3,4,5-trimethoxy-phenyl)-propyl]...) Show SMILES COc1cc(CCCNc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC Show InChI InChI=1S/C20H24ClN5O3/c1-27-14-9-11(10-15(28-2)18(14)29-3)5-4-8-24-13-7-6-12-16(17(13)21)19(22)26-20(23)25-12/h6-7,9-10,24H,4-5,8H2,1-3H3,(H4,22,23,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035480 (5-Chloro-N*6*-[3-(3,4,5-trimethoxy-phenyl)-propyl]...) Show SMILES COc1cc(CCCNc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC Show InChI InChI=1S/C20H24ClN5O3/c1-27-14-9-11(10-15(28-2)18(14)29-3)5-4-8-24-13-7-6-12-16(17(13)21)19(22)26-20(23)25-12/h6-7,9-10,24H,4-5,8H2,1-3H3,(H4,22,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035479 (5-Chloro-N*6*-[3-(2,5-dimethoxy-phenyl)-propyl]-qu...) Show SMILES COc1ccc(OC)c(CCCNc2ccc3nc(N)nc(N)c3c2Cl)c1 Show InChI InChI=1S/C19H22ClN5O2/c1-26-12-5-8-15(27-2)11(10-12)4-3-9-23-14-7-6-13-16(17(14)20)18(21)25-19(22)24-13/h5-8,10,23H,3-4,9H2,1-2H3,(H4,21,22,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035482 (5-Chloro-N*6*-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-...) Show SMILES COc1cc(CCNc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC Show InChI InChI=1S/C19H22ClN5O3/c1-26-13-8-10(9-14(27-2)17(13)28-3)6-7-23-12-5-4-11-15(16(12)20)18(21)25-19(22)24-11/h4-5,8-9,23H,6-7H2,1-3H3,(H4,21,22,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035480 (5-Chloro-N*6*-[3-(3,4,5-trimethoxy-phenyl)-propyl]...) Show SMILES COc1cc(CCCNc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC Show InChI InChI=1S/C20H24ClN5O3/c1-27-14-9-11(10-15(28-2)18(14)29-3)5-4-8-24-13-7-6-12-16(17(13)21)19(22)26-20(23)25-12/h6-7,9-10,24H,4-5,8H2,1-3H3,(H4,22,23,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair				3D Structure (crystal)