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 = 'BDBM50363056'   

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))	BDBM50363056 (CHEMBL1946961) Show SMILES OC(=O)Cn1c2c(CCN(Cc3ccc(cc3)C(F)(F)F)C2=S)c2cc(F)ccc12 Show InChI InChI=1S/C21H16F4N2O2S/c22-14-5-6-17-16(9-14)15-7-8-26(20(30)19(15)27(17)11-18(28)29)10-12-1-3-13(4-2-12)21(23,24)25/h1-6,9H,7-8,10-11H2,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry				Bioorg Med Chem 20: 356-67 (2011) Article DOI: 10.1016/j.bmc.2011.10.073 BindingDB Entry DOI: 10.7270/Q2N58MTG
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