Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50108841'   

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)	BDBM50108841 (CHEMBL161508 | [1-(1-Benzyl-3-cyclohexylsulfanyl-2...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C33H38N2O4S/c36-31(24-40-28-19-11-4-12-20-28)29(21-25-13-5-1-6-14-25)34-32(37)30(22-26-15-7-2-8-16-26)35-33(38)39-23-27-17-9-3-10-18-27/h1-3,5-10,13-18,28-30H,4,11-12,19-24H2,(H,34,37)(H,35,38)/t29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	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)	BDBM50108841 (CHEMBL161508 | [1-(1-Benzyl-3-cyclohexylsulfanyl-2...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C33H38N2O4S/c36-31(24-40-28-19-11-4-12-20-28)29(21-25-13-5-1-6-14-25)34-32(37)30(22-26-15-7-2-8-16-26)35-33(38)39-23-27-17-9-3-10-18-27/h1-3,5-10,13-18,28-30H,4,11-12,19-24H2,(H,34,37)(H,35,38)/t29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.5	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