Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50108838'   

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)	BDBM50108838 (CHEMBL346190 | benzyl (S)-1-((S)-4-(4-tert-butylbe...) Show SMILES CC(C)(C)c1ccc(CSCC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C38H42N2O4S/c1-38(2,3)32-21-19-31(20-22-32)26-45-27-35(41)33(23-28-13-7-4-8-14-28)39-36(42)34(24-29-15-9-5-10-16-29)40-37(43)44-25-30-17-11-6-12-18-30/h4-22,33-34H,23-27H2,1-3H3,(H,39,42)(H,40,43)/t33-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	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)	BDBM50108838 (CHEMBL346190 | benzyl (S)-1-((S)-4-(4-tert-butylbe...) Show SMILES CC(C)(C)c1ccc(CSCC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C38H42N2O4S/c1-38(2,3)32-21-19-31(20-22-32)26-45-27-35(41)33(23-28-13-7-4-8-14-28)39-36(42)34(24-29-15-9-5-10-16-29)40-37(43)44-25-30-17-11-6-12-18-30/h4-22,33-34H,23-27H2,1-3H3,(H,39,42)(H,40,43)/t33-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	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