Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50229131'   

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)	BDBM50229131 (CHEMBL252413 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...) Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccccn2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C33H33N3O4S/c1-25-15-17-27(18-16-25)24-31(36-32(37)30-14-8-9-22-34-30)33(38)35-28(20-19-26-10-4-2-5-11-26)21-23-41(39,40)29-12-6-3-7-13-29/h2-18,21-23,28,31H,19-20,24H2,1H3,(H,35,38)(H,36,37)/b23-21+/t28-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
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