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 = 'BDBM16617'   

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))	BDBM16617 (6-{[(2,6-dichlorophenyl)methane]sulfonyl}-2,3-dihy...) Show SMILES Clc1cccc(Cl)c1CS(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C11H8Cl2N2O3S/c12-8-2-1-3-9(13)7(8)6-19(17,18)11-5-4-10(16)14-15-11/h1-5H,6H2,(H,14,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
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