BDBM50108848 CHEMBL348300::[3-(2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-2-oxo-4-phenyl-butylsulfanyl]-acetic acid ethyl ester::ethyl 2-((S)-3-((S)-2-(benzyloxycarbonyl)-3-phenylpropanamido)-2-oxo-4-phenylbutylthio)acetate

SMILES: CCOC(=O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=IDZBCNLCPPWHLT-SVBPBHIXSA-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 = 50108848   

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)	BDBM50108848 (CHEMBL348300 | [3-(2-Benzyloxycarbonylamino-3-phen...) Show SMILES CCOC(=O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H34N2O6S/c1-2-38-29(35)22-40-21-28(34)26(18-23-12-6-3-7-13-23)32-30(36)27(19-24-14-8-4-9-15-24)33-31(37)39-20-25-16-10-5-11-17-25/h3-17,26-27H,2,18-22H2,1H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.2	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)	BDBM50108848 (CHEMBL348300 | [3-(2-Benzyloxycarbonylamino-3-phen...) Show SMILES CCOC(=O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H34N2O6S/c1-2-38-29(35)22-40-21-28(34)26(18-23-12-6-3-7-13-23)32-30(36)27(19-24-14-8-4-9-15-24)33-31(37)39-20-25-16-10-5-11-17-25/h3-17,26-27H,2,18-22H2,1H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31.2	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