Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50229132'   

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)	BDBM50229132 (CHEMBL254066 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...) Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C35H33F3N2O4S/c1-25-9-8-12-27(23-25)24-32(40-33(41)28-16-18-29(19-17-28)35(36,37)38)34(42)39-30(20-15-26-10-4-2-5-11-26)21-22-45(43,44)31-13-6-3-7-14-31/h2-14,16-19,21-23,30,32H,15,20,24H2,1H3,(H,39,42)(H,40,41)/b22-21+/t30-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	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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