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 = 'BDBM50237632'   

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 (Rattus norvegicus)	BDBM50237632 (CHEMBL4096393) Show SMILES On1cc(cn1)-n1cc(cc1C(=O)C(F)(F)F)C(=O)c1cccc(F)c1 Show InChI InChI=1S/C16H9F4N3O3/c17-11-3-1-2-9(4-11)14(24)10-5-13(15(25)16(18,19)20)22(7-10)12-6-21-23(26)8-12/h1-8,26H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of Wistar rat kidney ALR1 assessed as reduction in NADPH oxidation using D-glycuronate as substrate by UV-visible spectrophotometric metho...				Eur J Med Chem 130: 328-335 (2017) Article DOI: 10.1016/j.ejmech.2017.02.053 BindingDB Entry DOI: 10.7270/Q2PR7Z7S
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