Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50108873'   

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)	BDBM50108873 (CHEMBL161424 | [1-(1-Benzyl-3-sec-butylsulfanyl-2-...) Show SMILES CCC(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H36N2O4S/c1-3-23(2)38-22-29(34)27(19-24-13-7-4-8-14-24)32-30(35)28(20-25-15-9-5-10-16-25)33-31(36)37-21-26-17-11-6-12-18-26/h4-18,23,27-28H,3,19-22H2,1-2H3,(H,32,35)(H,33,36)/t23?,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	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)	BDBM50108873 (CHEMBL161424 | [1-(1-Benzyl-3-sec-butylsulfanyl-2-...) Show SMILES CCC(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H36N2O4S/c1-3-23(2)38-22-29(34)27(19-24-13-7-4-8-14-24)32-30(35)28(20-25-15-9-5-10-16-25)33-31(36)37-21-26-17-11-6-12-18-26/h4-18,23,27-28H,3,19-22H2,1-2H3,(H,32,35)(H,33,36)/t23?,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80	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