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 = 'BDBM16628'   

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))	BDBM16628 (6-[(5,7-dichloro-1H-indole-2-)sulfonyl]-2,3-dihydr...) Show SMILES Clc1cc(Cl)c2[nH]c(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C12H7Cl2N3O3S/c13-7-3-6-4-11(15-12(6)8(14)5-7)21(19,20)10-2-1-9(18)16-17-10/h1-5,15H,(H,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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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