Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50229135'   

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)	BDBM50229135 (CHEMBL253015 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...) Show SMILES FC(F)(F)c1cccc(C[C@H](NC(=O)c2ccccn2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C33H30F3N3O4S/c34-33(35,36)26-13-9-12-25(22-26)23-30(39-31(40)29-16-7-8-20-37-29)32(41)38-27(18-17-24-10-3-1-4-11-24)19-21-44(42,43)28-14-5-2-6-15-28/h1-16,19-22,27,30H,17-18,23H2,(H,38,41)(H,39,40)/b21-19+/t27-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	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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