Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B1 [K65Q]' and Ligand = 'BDBM50084410'   

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 [K65Q] (Bos taurus (Cattle))	BDBM50084410 (CHEMBL3426180) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11c2ccccc2-c2ccccc12 Show InChI InChI=1S/C21H13N3O6S/c25-19-21(17-7-3-1-5-15(17)16-6-2-4-8-18(16)21)23(20(26)22-19)31(29,30)14-11-9-13(10-12-14)24(27)28/h1-12H,(H,22,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.88E+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 calf lenses using DL-glyceraldehyde as substrate treated with compound for 10 mins prior to substrate addition by UV spectropho...				Eur J Med Chem 98: 127-38 (2015) Article DOI: 10.1016/j.ejmech.2015.05.011 BindingDB Entry DOI: 10.7270/Q25140X4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50084410 (CHEMBL3426180) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11c2ccccc2-c2ccccc12 Show InChI InChI=1S/C21H13N3O6S/c25-19-21(17-7-3-1-5-15(17)16-6-2-4-8-18(16)21)23(20(26)22-19)31(29,30)14-11-9-13(10-12-14)24(27)28/h1-12H,(H,22,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of ALR1 in calf kidney using sodium D-glucoronate as substrate treated with compound for 10 mins prior to substrate addition by UV spectro...				Eur J Med Chem 98: 127-38 (2015) Article DOI: 10.1016/j.ejmech.2015.05.011 BindingDB Entry DOI: 10.7270/Q25140X4
					More data for this Ligand-Target Pair