Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50035866   

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
Glutamate dehydrogenase 1, mitochondrial (Bos taurus)	BDBM50421763 (CHEMBL2364562) Show SMILES NC(=O)c1csc(n1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8+,10-,11+,12-,13+,14-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rochester Medical Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine liver glutamate dehydrogenase (GDH)				J Med Chem 33: 1123-7 (1990) BindingDB Entry DOI: 10.7270/Q28P6131
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Sus scrofa)	BDBM50421763 (CHEMBL2364562) Show SMILES NC(=O)c1csc(n1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8+,10-,11+,12-,13+,14-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rochester Medical Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against pig heart lactate dehydrogenase (LDH)				J Med Chem 33: 1123-7 (1990) BindingDB Entry DOI: 10.7270/Q28P6131
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50421763 (CHEMBL2364562) Show SMILES NC(=O)c1csc(n1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8+,10-,11+,12-,13+,14-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.65E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rochester Medical Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against horse liver Alcohol dehydrogenase (ADH)				J Med Chem 33: 1123-7 (1990) BindingDB Entry DOI: 10.7270/Q28P6131
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50421763 (CHEMBL2364562) Show SMILES NC(=O)c1csc(n1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8+,10-,11+,12-,13+,14-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rochester Medical Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against pig heart cytoplasmic malate dehydrogenase (MDH)				J Med Chem 33: 1123-7 (1990) BindingDB Entry DOI: 10.7270/Q28P6131
					More data for this Ligand-Target Pair
Glutamate dehydrogenase 1, mitochondrial (Bos taurus)	BDBM50367221 (CHEMBL3144022 | CHEMBL604140) Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H13N2O8PS/c10-8(14)3-2-21-9(11-3)7-6(13)5(12)4(19-7)1-18-20(15,16)17/h2,4-7,12-13H,1H2,(H2,10,14)(H2,15,16,17)/t4-,5-,6-,7?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rochester Medical Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine liver glutamate dehydrogenase (GDH)				J Med Chem 33: 1123-7 (1990) BindingDB Entry DOI: 10.7270/Q28P6131
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50367221 (CHEMBL3144022 | CHEMBL604140) Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H13N2O8PS/c10-8(14)3-2-21-9(11-3)7-6(13)5(12)4(19-7)1-18-20(15,16)17/h2,4-7,12-13H,1H2,(H2,10,14)(H2,15,16,17)/t4-,5-,6-,7?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rochester Medical Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against horse liver Alcohol dehydrogenase				J Med Chem 33: 1123-7 (1990) BindingDB Entry DOI: 10.7270/Q28P6131
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50366763 (BETANMN) Show SMILES NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rochester Medical Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against horse liver Alcohol dehydrogenase				J Med Chem 33: 1123-7 (1990) BindingDB Entry DOI: 10.7270/Q28P6131
					More data for this Ligand-Target Pair
Glutamate dehydrogenase 1, mitochondrial (Bos taurus)	BDBM50368057 (NSC-286193 | TIAZOFURINE) Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rochester Medical Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine liver glutamate dehydrogenase (GDH)				J Med Chem 33: 1123-7 (1990) BindingDB Entry DOI: 10.7270/Q28P6131
					More data for this Ligand-Target Pair
Glutamate dehydrogenase 1, mitochondrial (Bos taurus)	BDBM50366763 (BETANMN) Show SMILES NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rochester Medical Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine liver glutamate dehydrogenase (GDH)				J Med Chem 33: 1123-7 (1990) BindingDB Entry DOI: 10.7270/Q28P6131
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50368057 (NSC-286193 | TIAZOFURINE) Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rochester Medical Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against horse liver Alcohol dehydrogenase				J Med Chem 33: 1123-7 (1990) BindingDB Entry DOI: 10.7270/Q28P6131
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50421763 (CHEMBL2364562) Show SMILES NC(=O)c1csc(n1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8+,10-,11+,12-,13+,14-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a
University of Rochester Medical Center Curated by ChEMBL					Assay Description Dissociation constant from Alcohol dehydrogenase				J Med Chem 33: 1123-7 (1990) BindingDB Entry DOI: 10.7270/Q28P6131
					More data for this Ligand-Target Pair