BDBM50108865 CHEMBL263133::benzyl (S)-1-((S)-4-(4-methoxybenzylthio)-3-oxo-1-phenylbutan-2-ylamino)-1-oxo-3-phenylpropan-2-ylcarbamate::{1-[1-Benzyl-3-(4-methoxy-benzylsulfanyl)-2-oxo-propylcarbamoyl]-2-phenyl-ethyl}-carbamic acid benzyl ester

SMILES: COc1ccc(CSCC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1

InChI Key: InChIKey=HBZPXPULVMUENC-ACHIHNKUSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50108865   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cruzipain (Trypanosoma cruzi)	BDBM50108865 (CHEMBL263133 | benzyl (S)-1-((S)-4-(4-methoxybenzy...) Show SMILES COc1ccc(CSCC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C35H36N2O5S/c1-41-30-19-17-29(18-20-30)24-43-25-33(38)31(21-26-11-5-2-6-12-26)36-34(39)32(22-27-13-7-3-8-14-27)37-35(40)42-23-28-15-9-4-10-16-28/h2-20,31-32H,21-25H2,1H3,(H,36,39)(H,37,40)/t31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem 16: 838-53 (2008) Article DOI: 10.1016/j.bmc.2007.10.048 BindingDB Entry DOI: 10.7270/Q2H70GPF
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50108865 (CHEMBL263133 | benzyl (S)-1-((S)-4-(4-methoxybenzy...) Show SMILES COc1ccc(CSCC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C35H36N2O5S/c1-41-30-19-17-29(18-20-30)24-43-25-33(38)31(21-26-11-5-2-6-12-26)36-34(39)32(22-27-13-7-3-8-14-27)37-35(40)42-23-28-15-9-4-10-16-28/h2-20,31-32H,21-25H2,1H3,(H,36,39)(H,37,40)/t31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi				J Med Chem 45: 676-84 (2002) BindingDB Entry DOI: 10.7270/Q2ZK5G0V
					More data for this Ligand-Target Pair