Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50514680'   

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)	BDBM50514680 (CHEMBL4468998) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C33H32N2O3/c36-32(34-30(23-27-15-7-2-8-16-27)22-21-26-13-5-1-6-14-26)31(24-28-17-9-3-10-18-28)35-33(37)38-25-29-19-11-4-12-20-29/h1-22,30-31H,23-25H2,(H,34,36)(H,35,37)/b22-21+/t30-,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	870	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)	BDBM50514680 (CHEMBL4468998) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C33H32N2O3/c36-32(34-30(23-27-15-7-2-8-16-27)22-21-26-13-5-1-6-14-26)31(24-28-17-9-3-10-18-28)35-33(37)38-25-29-19-11-4-12-20-29/h1-22,30-31H,23-25H2,(H,34,36)(H,35,37)/b22-21+/t30-,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+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 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