Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B-like cysteine protease' and Ligand = 'BDBM22085'   

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
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22085 (9-benzyl-6-{[(4-fluorophenyl)methyl]amino}-9H-puri...) Show SMILES Fc1ccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)cc1 Show InChI InChI=1S/C20H15FN6/c21-16-8-6-14(7-9-16)11-23-19-18-20(26-17(10-22)25-19)27(13-24-18)12-15-4-2-1-3-5-15/h1-9,13H,11-12H2,(H,23,25,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	25
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
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