Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50006484   

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
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against partially purified rat lens Aldose reductase at a dose of 5e-7M				J Med Chem 39: 1924-7 (1996) Article DOI: 10.1021/jm9508393 BindingDB Entry DOI: 10.7270/Q2PV6JGM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049731 (CHEMBL57570 | [3-(3,4-Dichloro-benzyl)-2,4,5-triox...) Show SMILES OC(=O)CN1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=O Show InChI InChI=1S/C12H8Cl2N2O5/c13-7-2-1-6(3-8(7)14)4-15-10(19)11(20)16(12(15)21)5-9(17)18/h1-3H,4-5H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Invitro inhibitory activity of the compound against rat lens Aldose reductase				J Med Chem 39: 1924-7 (1996) Article DOI: 10.1021/jm9508393 BindingDB Entry DOI: 10.7270/Q2PV6JGM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049729 (CHEMBL292887 | [3-(3-Nitro-benzyl)-2,4,5-trioxo-im...) Show SMILES OC(=O)CN1C(=O)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)C1=O Show InChI InChI=1S/C12H9N3O7/c16-9(17)6-14-11(19)10(18)13(12(14)20)5-7-2-1-3-8(4-7)15(21)22/h1-4H,5-6H2,(H,16,17)	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	62	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against partially purified rat lens Aldose reductase, for experiment 2				J Med Chem 39: 1924-7 (1996) Article DOI: 10.1021/jm9508393 BindingDB Entry DOI: 10.7270/Q2PV6JGM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049732 (CHEMBL294664 | [3-(2,4-Dichloro-benzyl)-2,4,5-trio...) Show SMILES OC(=O)CN1C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)C1=O Show InChI InChI=1S/C12H8Cl2N2O5/c13-7-2-1-6(8(14)3-7)4-15-10(19)11(20)16(12(15)21)5-9(17)18/h1-3H,4-5H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Invitro inhibitory activity of the compound against rat lens Aldose reductase				J Med Chem 39: 1924-7 (1996) Article DOI: 10.1021/jm9508393 BindingDB Entry DOI: 10.7270/Q2PV6JGM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50009832 (1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...) Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against partially purified rat lens Aldose reductase at a dose of 5e-7M				J Med Chem 39: 1924-7 (1996) Article DOI: 10.1021/jm9508393 BindingDB Entry DOI: 10.7270/Q2PV6JGM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049729 (CHEMBL292887 | [3-(3-Nitro-benzyl)-2,4,5-trioxo-im...) Show SMILES OC(=O)CN1C(=O)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)C1=O Show InChI InChI=1S/C12H9N3O7/c16-9(17)6-14-11(19)10(18)13(12(14)20)5-7-2-1-3-8(4-7)15(21)22/h1-4H,5-6H2,(H,16,17)	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	130	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against rat lens Aldose reductase, for experiment 1				J Med Chem 39: 1924-7 (1996) Article DOI: 10.1021/jm9508393 BindingDB Entry DOI: 10.7270/Q2PV6JGM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Invitro inhibitory activity of the compound against rat kidney Aldehyde reductase				J Med Chem 39: 1924-7 (1996) Article DOI: 10.1021/jm9508393 BindingDB Entry DOI: 10.7270/Q2PV6JGM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50009832 (1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...) Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Invitro inhibitory activity of the compound against rat kidney Aldehyde reductase				J Med Chem 39: 1924-7 (1996) Article DOI: 10.1021/jm9508393 BindingDB Entry DOI: 10.7270/Q2PV6JGM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049732 (CHEMBL294664 | [3-(2,4-Dichloro-benzyl)-2,4,5-trio...) Show SMILES OC(=O)CN1C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)C1=O Show InChI InChI=1S/C12H8Cl2N2O5/c13-7-2-1-6(8(14)3-7)4-15-10(19)11(20)16(12(15)21)5-9(17)18/h1-3H,4-5H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Invitro inhibitory activity of the compound against rat kidney Aldehyde reductase				J Med Chem 39: 1924-7 (1996) Article DOI: 10.1021/jm9508393 BindingDB Entry DOI: 10.7270/Q2PV6JGM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049729 (CHEMBL292887 | [3-(3-Nitro-benzyl)-2,4,5-trioxo-im...) Show SMILES OC(=O)CN1C(=O)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)C1=O Show InChI InChI=1S/C12H9N3O7/c16-9(17)6-14-11(19)10(18)13(12(14)20)5-7-2-1-3-8(4-7)15(21)22/h1-4H,5-6H2,(H,16,17)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against rat kidney Aldehyde reductase, for experiment 2				J Med Chem 39: 1924-7 (1996) Article DOI: 10.1021/jm9508393 BindingDB Entry DOI: 10.7270/Q2PV6JGM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049731 (CHEMBL57570 | [3-(3,4-Dichloro-benzyl)-2,4,5-triox...) Show SMILES OC(=O)CN1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=O Show InChI InChI=1S/C12H8Cl2N2O5/c13-7-2-1-6(3-8(7)14)4-15-10(19)11(20)16(12(15)21)5-9(17)18/h1-3H,4-5H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Invitro inhibitory activity of the compound against rat kidney Aldehyde reductase				J Med Chem 39: 1924-7 (1996) Article DOI: 10.1021/jm9508393 BindingDB Entry DOI: 10.7270/Q2PV6JGM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049729 (CHEMBL292887 | [3-(3-Nitro-benzyl)-2,4,5-trioxo-im...) Show SMILES OC(=O)CN1C(=O)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)C1=O Show InChI InChI=1S/C12H9N3O7/c16-9(17)6-14-11(19)10(18)13(12(14)20)5-7-2-1-3-8(4-7)15(21)22/h1-4H,5-6H2,(H,16,17)	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	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against rat kidney Aldehyde reductase, for experiment 1				J Med Chem 39: 1924-7 (1996) Article DOI: 10.1021/jm9508393 BindingDB Entry DOI: 10.7270/Q2PV6JGM
					More data for this Ligand-Target Pair