Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50108859'   

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
Cruzipain (Trypanosoma cruzi)	BDBM50108859 (CHEMBL350888 | benzyl (S)-1-((S)-4-(4-chlorobenzyl...) Show SMILES Clc1ccc(CSCC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C34H33ClN2O4S/c35-29-18-16-28(17-19-29)23-42-24-32(38)30(20-25-10-4-1-5-11-25)36-33(39)31(21-26-12-6-2-7-13-26)37-34(40)41-22-27-14-8-3-9-15-27/h1-19,30-31H,20-24H2,(H,36,39)(H,37,40)/t30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem 16: 838-53 (2008) Article DOI: 10.1016/j.bmc.2007.10.048 BindingDB Entry DOI: 10.7270/Q2H70GPF
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50108859 (CHEMBL350888 | benzyl (S)-1-((S)-4-(4-chlorobenzyl...) Show SMILES Clc1ccc(CSCC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C34H33ClN2O4S/c35-29-18-16-28(17-19-29)23-42-24-32(38)30(20-25-10-4-1-5-11-25)36-33(39)31(21-26-12-6-2-7-13-26)37-34(40)41-22-27-14-8-3-9-15-27/h1-19,30-31H,20-24H2,(H,36,39)(H,37,40)/t30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	82.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi				J Med Chem 45: 676-84 (2002) BindingDB Entry DOI: 10.7270/Q2ZK5G0V
					More data for this Ligand-Target Pair