Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B-like cysteine protease' and Ligand = 'BDBM22046'   

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)	BDBM22046 (9-cyclopentyl-6-{[(2S)-2-methylbutyl]amino}-9H-pur...) Show SMILES CC[C@H](C)CNc1nc(nc2n(cnc12)C1CCCC1)C#N |r| Show InChI InChI=1S/C16H22N6/c1-3-11(2)9-18-15-14-16(21-13(8-17)20-15)22(10-19-14)12-6-4-5-7-12/h10-12H,3-7,9H2,1-2H3,(H,18,20,21)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	5.5	22
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
					More data for this Ligand-Target Pair