Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50514687'   

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)	BDBM50514687 (CHEMBL4589368) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ncco1)OCc1ccccc1 |r| Show InChI InChI=1S/C30H29N3O4/c34-29(32-26(16-17-28-31-18-19-36-28)20-23-10-4-1-5-11-23)27(21-24-12-6-2-7-13-24)33-30(35)37-22-25-14-8-3-9-15-25/h1-19,26-27H,20-22H2,(H,32,34)(H,33,35)/b17-16+/t26-,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured ...				J Med Chem 63: 3298-3316 (2020) Article DOI: 10.1021/acs.jmedchem.9b02078 BindingDB Entry DOI: 10.7270/Q2PV6PQD
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50514687 (CHEMBL4589368) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ncco1)OCc1ccccc1 |r| Show InChI InChI=1S/C30H29N3O4/c34-29(32-26(16-17-28-31-18-19-36-28)20-23-10-4-1-5-11-23)27(21-24-12-6-2-7-13-24)33-30(35)37-22-25-14-8-3-9-15-25/h1-19,26-27H,20-22H2,(H,32,34)(H,33,35)/b17-16+/t26-,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as rate constant for enzyme-inhibitor complex using Cbz-Phe-Arg-AMC as substrate and measured up to ...				J Med Chem 63: 3298-3316 (2020) Article DOI: 10.1021/acs.jmedchem.9b02078 BindingDB Entry DOI: 10.7270/Q2PV6PQD
					More data for this Ligand-Target Pair