BDBM50108854 CHEMBL158806::[1-(1-Benzyl-3-tert-butylsulfanyl-2-oxo-propylcarbamoyl)-2-phenyl-ethyl]-carbamic acid pyridin-3-ylmethyl ester

SMILES: CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1

InChI Key: InChIKey=DMQFSUSPFZOSOL-UIOOFZCWSA-N

Data: 1 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 1 hit for monomerid = 50108854   

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)	BDBM50108854 (CHEMBL158806 | [1-(1-Benzyl-3-tert-butylsulfanyl-2...) Show SMILES CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 Show InChI InChI=1S/C30H35N3O4S/c1-30(2,3)38-21-27(34)25(17-22-11-6-4-7-12-22)32-28(35)26(18-23-13-8-5-9-14-23)33-29(36)37-20-24-15-10-16-31-19-24/h4-16,19,25-26H,17-18,20-21H2,1-3H3,(H,32,35)(H,33,36)/t25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	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