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 = 'BDBM50084412'   

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))	BDBM50084412 (CHEMBL3426249) Show SMILES O=C1NC(=O)C2(N1S(=O)(=O)c1ccc3ccccc3c1)c1ccccc1-c1ccccc21 Show InChI InChI=1S/C25H16N2O4S/c28-23-25(21-11-5-3-9-19(21)20-10-4-6-12-22(20)25)27(24(29)26-23)32(30,31)18-14-13-16-7-1-2-8-17(16)15-18/h1-15H,(H,26,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+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
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50084412 (CHEMBL3426249) Show SMILES O=C1NC(=O)C2(N1S(=O)(=O)c1ccc3ccccc3c1)c1ccccc1-c1ccccc21 Show InChI InChI=1S/C25H16N2O4S/c28-23-25(21-11-5-3-9-19(21)20-10-4-6-12-22(20)25)27(24(29)26-23)32(30,31)18-14-13-16-7-1-2-8-17(16)15-18/h1-15H,(H,26,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.73E+4	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