Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50295124'   

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)	BDBM50295124 (2-(3-carbamoylthiophen-2-ylamino)-2-oxoethyl 2-ami...) Show SMILES NC(=O)c1ccsc1NC(=O)COC(=O)c1cc(Br)ccc1N Show InChI InChI=1S/C14H12BrN3O4S/c15-7-1-2-10(16)9(5-7)14(21)22-6-11(19)18-13-8(12(17)20)3-4-23-13/h1-5H,6,16H2,(H2,17,20)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+4	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 preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100				J Med Chem 52: 5005-8 (2010) Article DOI: 10.1021/jm9009229 BindingDB Entry DOI: 10.7270/Q24J0F50
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