Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B-like cysteine protease' and Ligand = 'BDBM22082'   

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)	BDBM22082 (6-(benzylamino)-9-{[3-(trifluoromethyl)phenyl]meth...) Show SMILES FC(F)(F)c1cccc(Cn2cnc3c(NCc4ccccc4)nc(nc23)C#N)c1 Show InChI InChI=1S/C21H15F3N6/c22-21(23,24)16-8-4-7-15(9-16)12-30-13-27-18-19(28-17(10-25)29-20(18)30)26-11-14-5-2-1-3-6-14/h1-9,13H,11-12H2,(H,26,28,29)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+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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