Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50295129'   

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)	BDBM50295129 (5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...) Show SMILES COc1ccc(cc1)-c1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1 Show InChI InChI=1S/C19H16N6O3/c1-27-12-8-6-11(7-9-12)15-10-16(23-22-15)21-17(26)19-25-24-18(28-19)13-4-2-3-5-14(13)20/h2-10H,20H2,1H3,(H2,21,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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)	BDBM50295129 (5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...) Show SMILES COc1ccc(cc1)-c1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1 Show InChI InChI=1S/C19H16N6O3/c1-27-12-8-6-11(7-9-12)15-10-16(23-22-15)21-17(26)19-25-24-18(28-19)13-4-2-3-5-14(13)20/h2-10H,20H2,1H3,(H2,21,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2021.116577 BindingDB Entry DOI: 10.7270/Q2J67MZ9
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50295129 (5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...) Show SMILES COc1ccc(cc1)-c1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1 Show InChI InChI=1S/C19H16N6O3/c1-27-12-8-6-11(7-9-12)15-10-16(23-22-15)21-17(26)19-25-24-18(28-19)13-4-2-3-5-14(13)20/h2-10H,20H2,1H3,(H2,21,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>200	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)	BDBM50295129 (5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...) Show SMILES COc1ccc(cc1)-c1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1 Show InChI InChI=1S/C19H16N6O3/c1-27-12-8-6-11(7-9-12)15-10-16(23-22-15)21-17(26)19-25-24-18(28-19)13-4-2-3-5-14(13)20/h2-10H,20H2,1H3,(H2,21,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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