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 = 'BDBM50363053'   

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))	BDBM50363053 (CHEMBL1944862) Show SMILES OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(ccc12)C(O)=O Show InChI InChI=1S/C21H18N2O4S/c24-18(25)12-23-17-7-6-14(21(26)27)10-16(17)15-8-9-22(20(28)19(15)23)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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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