Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B-like cysteine protease' and Ligand = 'BDBM22079'   

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)	BDBM22079 (6-(benzylamino)-9-(3-hydroxypropyl)-9H-purine-2-ca...) Show SMILES OCCCn1cnc2c(NCc3ccccc3)nc(nc12)C#N Show InChI InChI=1S/C16H16N6O/c17-9-13-20-15(18-10-12-5-2-1-3-6-12)14-16(21-13)22(11-19-14)7-4-8-23/h1-3,5-6,11,23H,4,7-8,10H2,(H,18,20,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	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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