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 = 'BDBM50221748'   

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)	BDBM50221748 (2-(3,4-dimethoxyphenyl)-6-hydroxy-4H-pyrido[1,2-a]...) Show SMILES COc1ccc(cc1OC)-c1cc(=O)n2c(O)cccc2n1 Show InChI InChI=1S/C16H14N2O4/c1-21-12-7-6-10(8-13(12)22-2)11-9-16(20)18-14(17-11)4-3-5-15(18)19/h3-9,19H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Università di Pisa Curated by ChEMBL					Assay Description Inhibition of ALR1 in Sprague-Dawley Albino rat kidney				J Med Chem 50: 4917-27 (2007) Article DOI: 10.1021/jm070398a BindingDB Entry DOI: 10.7270/Q2TM79TD
					More data for this Ligand-Target Pair