Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B1' and Ligand = 'BDBM50522316'   

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)	BDBM50522316 (CHEMBL4577996) Show SMILES Brc1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11CCCc2ccccc12 Show InChI InChI=1S/C18H15BrN2O4S/c19-13-7-9-14(10-8-13)26(24,25)21-17(23)20-16(22)18(21)11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of ALR2 in rat lens assessed as reduction in sorbitol accumulation incubated for 3 hrs in presence of 28 mM glucose by gas chromatographic...				Eur J Med Chem 168: 154-175 (2019) Article DOI: 10.1016/j.ejmech.2019.02.036 BindingDB Entry DOI: 10.7270/Q2WW7N3H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50522316 (CHEMBL4577996) Show SMILES Brc1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11CCCc2ccccc12 Show InChI InChI=1S/C18H15BrN2O4S/c19-13-7-9-14(10-8-13)26(24,25)21-17(23)20-16(22)18(21)11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of ALR2 in rat sciatic nerve assessed as reduction in sorbitol accumulation incubated for 3 hrs in presence of 28 mM glucose by gas chroma...				Eur J Med Chem 168: 154-175 (2019) Article DOI: 10.1016/j.ejmech.2019.02.036 BindingDB Entry DOI: 10.7270/Q2WW7N3H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50522316 (CHEMBL4577996) Show SMILES Brc1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11CCCc2ccccc12 Show InChI InChI=1S/C18H15BrN2O4S/c19-13-7-9-14(10-8-13)26(24,25)21-17(23)20-16(22)18(21)11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of ALR2 in rat erythrocytes assessed as reduction in sorbitol accumulation incubated for 3 hrs in presence of 28 mM glucose by gas chromat...				Eur J Med Chem 168: 154-175 (2019) Article DOI: 10.1016/j.ejmech.2019.02.036 BindingDB Entry DOI: 10.7270/Q2WW7N3H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50522316 (CHEMBL4577996) Show SMILES Brc1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11CCCc2ccccc12 Show InChI InChI=1S/C18H15BrN2O4S/c19-13-7-9-14(10-8-13)26(24,25)21-17(23)20-16(22)18(21)11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H,20,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of human recombinant ALR2 expressed in Escherichia coli using DL-glyceraldehyde as substrate and NADPH preincubated for 5 mins followed by...				Eur J Med Chem 168: 154-175 (2019) Article DOI: 10.1016/j.ejmech.2019.02.036 BindingDB Entry DOI: 10.7270/Q2WW7N3H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50522316 (CHEMBL4577996) Show SMILES Brc1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11CCCc2ccccc12 Show InChI InChI=1S/C18H15BrN2O4S/c19-13-7-9-14(10-8-13)26(24,25)21-17(23)20-16(22)18(21)11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of rat kidney ALR1 using DL-glyceraldehyde as substrate and NADPH preincubated for 5 mins followed by substrate addition and measured for ...				Eur J Med Chem 168: 154-175 (2019) Article DOI: 10.1016/j.ejmech.2019.02.036 BindingDB Entry DOI: 10.7270/Q2WW7N3H
					More data for this Ligand-Target Pair