Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50514682'   

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)	BDBM50514682 (CHEMBL4451437) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\c1ncccn1 |r| Show InChI InChI=1S/C30H36N6O2/c1-35-19-21-36(22-20-35)30(38)34-27(23-25-11-6-3-7-12-25)29(37)33-26(14-13-24-9-4-2-5-10-24)15-16-28-31-17-8-18-32-28/h2-12,15-18,26-27H,13-14,19-23H2,1H3,(H,33,37)(H,34,38)/b16-15+/t26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	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)	BDBM50514682 (CHEMBL4451437) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\c1ncccn1 |r| Show InChI InChI=1S/C30H36N6O2/c1-35-19-21-36(22-20-35)30(38)34-27(23-25-11-6-3-7-12-25)29(37)33-26(14-13-24-9-4-2-5-10-24)15-16-28-31-17-8-18-32-28/h2-12,15-18,26-27H,13-14,19-23H2,1H3,(H,33,37)(H,34,38)/b16-15+/t26-,27-/m0/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