Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50295113'   

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)	BDBM50295113 (5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...) Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCCCN1CCCC1=O Show InChI InChI=1S/C16H19N5O3/c17-12-6-2-1-5-11(12)15-19-20-16(24-15)14(23)18-8-4-10-21-9-3-7-13(21)22/h1-2,5-6H,3-4,7-10,17H2,(H,18,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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				J Med Chem 52: 5005-8 (2010) Article DOI: 10.1021/jm9009229 BindingDB Entry DOI: 10.7270/Q24J0F50
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50295113 (5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...) Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCCCN1CCCC1=O Show InChI InChI=1S/C16H19N5O3/c17-12-6-2-1-5-11(12)15-19-20-16(24-15)14(23)18-8-4-10-21-9-3-7-13(21)22/h1-2,5-6H,3-4,7-10,17H2,(H,18,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50295113 (5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...) Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCCCN1CCCC1=O Show InChI InChI=1S/C16H19N5O3/c17-12-6-2-1-5-11(12)15-19-20-16(24-15)14(23)18-8-4-10-21-9-3-7-13(21)22/h1-2,5-6H,3-4,7-10,17H2,(H,18,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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 0.001% Triton X-100				J Med Chem 52: 5005-8 (2010) Article DOI: 10.1021/jm9009229 BindingDB Entry DOI: 10.7270/Q24J0F50
					More data for this Ligand-Target Pair