BDBM50108868 CHEMBL351721::[1-(1-Benzyl-3-methylcarbamoylmethylsulfanyl-2-oxo-propylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester::benzyl (S)-1-((S)-4-(2-(methylamino)-2-oxoethylthio)-3-oxo-1-phenylbutan-2-ylamino)-1-oxo-3-phenylpropan-2-ylcarbamate

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

InChI Key: InChIKey=PTFJRYATUATNPO-UIOOFZCWSA-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 = 50108868   

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)	BDBM50108868 (CHEMBL351721 | [1-(1-Benzyl-3-methylcarbamoylmethy...) Show SMILES CNC(=O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C30H33N3O5S/c1-31-28(35)21-39-20-27(34)25(17-22-11-5-2-6-12-22)32-29(36)26(18-23-13-7-3-8-14-23)33-30(37)38-19-24-15-9-4-10-16-24/h2-16,25-26H,17-21H2,1H3,(H,31,35)(H,32,36)(H,33,37)/t25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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)	BDBM50108868 (CHEMBL351721 | [1-(1-Benzyl-3-methylcarbamoylmethy...) Show SMILES CNC(=O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C30H33N3O5S/c1-31-28(35)21-39-20-27(34)25(17-22-11-5-2-6-12-22)32-29(36)26(18-23-13-7-3-8-14-23)33-30(37)38-19-24-15-9-4-10-16-24/h2-16,25-26H,17-21H2,1H3,(H,31,35)(H,32,36)(H,33,37)/t25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	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