Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50229122'   

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)	BDBM50229122 (4-methyl-N-((S)-1-oxo-1-((S)-5-phenyl-1-(phenylsul...) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |w:35.38| Show InChI InChI=1S/C33H37F3N4O4S/c1-39-18-20-40(21-19-39)32(42)38-30(24-26-11-8-12-27(23-26)33(34,35)36)31(41)37-28(16-15-25-9-4-2-5-10-25)17-22-45(43,44)29-13-6-3-7-14-29/h2-14,17,22-23,28,30H,15-16,18-21,24H2,1H3,(H,37,41)(H,38,42)/t28-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	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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