Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50001814   

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
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50018235 (5-Amino-2-{4-[(2,4-diamino-5-chloro-quinazolin-6-y...) Show SMILES NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3c2Cl)cc1)C(O)=O Show InChI InChI=1S/C21H24ClN7O3/c22-17-12(5-8-14-16(17)18(24)29-21(25)28-14)10-26-13-6-3-11(4-7-13)19(30)27-15(20(31)32)2-1-9-23/h3-8,15,26H,1-2,9-10,23H2,(H,27,30)(H,31,32)(H4,24,25,28,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase				J Med Chem 32: 1559-65 (1989) BindingDB Entry DOI: 10.7270/Q22806MJ
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50002472 (5-Amino-2-{4-[(2-amino-5-chloro-4-oxo-3,4-dihydro-...) Show SMILES NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)[nH]c(=O)c3c2Cl)cc1)C(O)=O Show InChI InChI=1S/C21H23ClN6O4/c22-17-12(5-8-14-16(17)19(30)28-21(24)27-14)10-25-13-6-3-11(4-7-13)18(29)26-15(20(31)32)2-1-9-23/h3-8,15,25H,1-2,9-10,23H2,(H,26,29)(H,31,32)(H3,24,27,28,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase				J Med Chem 32: 1559-65 (1989) BindingDB Entry DOI: 10.7270/Q22806MJ
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50018236 (5-Amino-2-[4-(4-oxo-3,4-dihydro-quinazolin-6-ylmet...) Show SMILES NCCCC(NC(=O)c1ccc(SCc2ccc3nc[nH]c(=O)c3c2)cc1)C(O)=O Show InChI InChI=1S/C21H22N4O4S/c22-9-1-2-18(21(28)29)25-19(26)14-4-6-15(7-5-14)30-11-13-3-8-17-16(10-13)20(27)24-12-23-17/h3-8,10,12,18H,1-2,9,11,22H2,(H,25,26)(H,28,29)(H,23,24,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase				J Med Chem 32: 1559-65 (1989) BindingDB Entry DOI: 10.7270/Q22806MJ
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50018232 (5-Amino-2-[4-(4-oxo-3,4-dihydro-quinazolin-6-ylmet...) Show SMILES NCCCC(NC(=O)c1ccc(OCc2ccc3nc[nH]c(=O)c3c2)cc1)C(O)=O Show InChI InChI=1S/C21H22N4O5/c22-9-1-2-18(21(28)29)25-19(26)14-4-6-15(7-5-14)30-11-13-3-8-17-16(10-13)20(27)24-12-23-17/h3-8,10,12,18H,1-2,9,11,22H2,(H,25,26)(H,28,29)(H,23,24,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase				J Med Chem 32: 1559-65 (1989) BindingDB Entry DOI: 10.7270/Q22806MJ
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50018234 (5-Amino-2-[4-(2-amino-4-oxo-3,4-dihydro-quinazolin...) Show SMILES NCCCC(NC(=O)c1ccc(SCc2ccc3nc(N)[nH]c(=O)c3c2)cc1)C(O)=O Show InChI InChI=1S/C21H23N5O4S/c22-9-1-2-17(20(29)30)24-18(27)13-4-6-14(7-5-13)31-11-12-3-8-16-15(10-12)19(28)26-21(23)25-16/h3-8,10,17H,1-2,9,11,22H2,(H,24,27)(H,29,30)(H3,23,25,26,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase				J Med Chem 32: 1559-65 (1989) BindingDB Entry DOI: 10.7270/Q22806MJ
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50002473 (5-Amino-2-{4-[(2-amino-4-oxo-3,4-dihydro-pteridin-...) Show SMILES NCCCC(NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(O)=O Show InChI InChI=1S/C19H22N8O4/c20-7-1-2-13(18(30)31)25-16(28)10-3-5-11(6-4-10)22-8-12-9-23-15-14(24-12)17(29)27-19(21)26-15/h3-6,9,13,22H,1-2,7-8,20H2,(H,25,28)(H,30,31)(H3,21,23,26,27,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Binding affinity of the compound for hog liver Folyl-polyglutamate synthase was evaluated				J Med Chem 32: 1559-65 (1989) BindingDB Entry DOI: 10.7270/Q22806MJ
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50018233 (5-Amino-2-[4-(2-amino-4-oxo-3,4-dihydro-quinazolin...) Show SMILES NCCCC(NC(=O)c1ccc(OCc2ccc3nc(N)[nH]c(=O)c3c2)cc1)C(O)=O Show InChI InChI=1S/C21H23N5O5/c22-9-1-2-17(20(29)30)24-18(27)13-4-6-14(7-5-13)31-11-12-3-8-16-15(10-12)19(28)26-21(23)25-16/h3-8,10,17H,1-2,9,11,22H2,(H,24,27)(H,29,30)(H3,23,25,26,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase				J Med Chem 32: 1559-65 (1989) BindingDB Entry DOI: 10.7270/Q22806MJ
					More data for this Ligand-Target Pair