Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cysteine protease' and Ligand = 'BDBM50300782'   

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
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50300782 (CHEMBL571938 | methyl 3'-((2-cyano-9-(3-hydroxypro...) Show SMILES COC(=O)c1ccc(cc1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1 Show InChI InChI=1S/C24H22N6O3/c1-33-24(32)18-8-6-17(7-9-18)19-5-2-4-16(12-19)14-26-22-21-23(29-20(13-25)28-22)30(15-27-21)10-3-11-31/h2,4-9,12,15,31H,3,10-11,14H2,1H3,(H,26,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain				J Med Chem 52: 6489-93 (2009) Article DOI: 10.1021/jm900908p BindingDB Entry DOI: 10.7270/Q2K074BP
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