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 = 'BDBM16639'   

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))	BDBM16639 (6-{[3-(4-fluorophenyl)-1-benzofuran-2-]sulfonyl}-2...) Show SMILES Fc1ccc(cc1)-c1c(oc2ccccc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C18H11FN2O4S/c19-12-7-5-11(6-8-12)17-13-3-1-2-4-14(13)25-18(17)26(23,24)16-10-9-15(22)20-21-16/h1-10H,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	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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