Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B10' and Ligand = 'BDBM50519874'   

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 B10 (Homo sapiens (Human))	BDBM50519874 (CHEMBL4582264) Show SMILES OC(=O)Cn1c2ccccc2c2n[nH]c(=O)nc12 Show InChI InChI=1S/C11H8N4O3/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Comenius University in Bratislava Curated by ChEMBL					Assay Description Inhibition of human AKR1B10 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using by spectrophotometric analysis				J Med Chem 63: 369-381 (2020) Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7
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