Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B1' and Ligand = 'BDBM50495484'   

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 (Homo sapiens (Human))	BDBM50495484 (CHEMBL3109109) Show SMILES OC[C@H]1O[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C13H17NO9/c15-3-7-9(19)10(20)11(21)13(23-7)14-12(22)4-1-5(16)8(18)6(17)2-4/h1-2,7,9-11,13,15-21H,3H2,(H,14,22)/t7-,9-,10+,11-,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Anschutz Medical Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1B1 expressed in Escherichia coli using DL-glyceraldehyde as substrate after 5 mins by spectrophotometry				J Med Chem 57: 71-7 (2014) Article DOI: 10.1021/jm401311d BindingDB Entry DOI: 10.7270/Q2KW5K0S
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