BDBM50108853 CHEMBL321988::[(S)-1-((S)-1-Benzyl-3-benzylsulfanyl-2-oxo-propylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester::[1-(1-Benzyl-3-benzylsulfanyl-2-oxo-propylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester::benzyl (S)-1-((S)-4-(benzylthio)-3-oxo-1-phenylbutan-2-ylamino)-1-oxo-3-phenylpropan-2-ylcarbamate

SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccccc1)OCc1ccccc1

InChI Key: InChIKey=VEPUZFAOTNXDNN-CONSDPRKSA-N

Data: 3 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 3 hits for monomerid = 50108853   

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)	BDBM50108853 (CHEMBL321988 | [(S)-1-((S)-1-Benzyl-3-benzylsulfan...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C34H34N2O4S/c37-32(25-41-24-29-19-11-4-12-20-29)30(21-26-13-5-1-6-14-26)35-33(38)31(22-27-15-7-2-8-16-27)36-34(39)40-23-28-17-9-3-10-18-28/h1-20,30-31H,21-25H2,(H,35,38)(H,36,39)/t30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	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
Cruzipain (Trypanosoma cruzi)	BDBM50108853 (CHEMBL321988 | [(S)-1-((S)-1-Benzyl-3-benzylsulfan...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C34H34N2O4S/c37-32(25-41-24-29-19-11-4-12-20-29)30(21-26-13-5-1-6-14-26)35-33(38)31(22-27-15-7-2-8-16-27)36-34(39)40-23-28-17-9-3-10-18-28/h1-20,30-31H,21-25H2,(H,35,38)(H,36,39)/t30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	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)	BDBM50108853 (CHEMBL321988 | [(S)-1-((S)-1-Benzyl-3-benzylsulfan...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C34H34N2O4S/c37-32(25-41-24-29-19-11-4-12-20-29)30(21-26-13-5-1-6-14-26)35-33(38)31(22-27-15-7-2-8-16-27)36-34(39)40-23-28-17-9-3-10-18-28/h1-20,30-31H,21-25H2,(H,35,38)(H,36,39)/t30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Affinity for cysteine protease (Cruzipain) of Chagas' disease				Bioorg Med Chem Lett 12: 2993-6 (2002) BindingDB Entry DOI: 10.7270/Q2W37VPP
					More data for this Ligand-Target Pair