BDBM50108876 CHEMBL352896::benzyl (S)-1-((S)-4-(2-acetamidoethylthio)-3-oxo-1-phenylbutan-2-ylamino)-1-oxo-3-phenylpropan-2-ylcarbamate::{1-[3-(2-Acetylamino-ethylsulfanyl)-1-benzyl-2-oxo-propylcarbamoyl]-2-phenyl-ethyl}-carbamic acid benzyl ester

SMILES: CC(=O)NCCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=ZHHDGHJWEHSPKS-NSOVKSMOSA-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 = 50108876   

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)	BDBM50108876 (CHEMBL352896 | benzyl (S)-1-((S)-4-(2-acetamidoeth...) Show SMILES CC(=O)NCCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H35N3O5S/c1-23(35)32-17-18-40-22-29(36)27(19-24-11-5-2-6-12-24)33-30(37)28(20-25-13-7-3-8-14-25)34-31(38)39-21-26-15-9-4-10-16-26/h2-16,27-28H,17-22H2,1H3,(H,32,35)(H,33,37)(H,34,38)/t27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.3	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)	BDBM50108876 (CHEMBL352896 | benzyl (S)-1-((S)-4-(2-acetamidoeth...) Show SMILES CC(=O)NCCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H35N3O5S/c1-23(35)32-17-18-40-22-29(36)27(19-24-11-5-2-6-12-24)33-30(37)28(20-25-13-7-3-8-14-25)34-31(38)39-21-26-15-9-4-10-16-26/h2-16,27-28H,17-22H2,1H3,(H,32,35)(H,33,37)(H,34,38)/t27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34.3	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