BDBM50108870 CHEMBL159089::[1-(1-Benzyl-3-cyclopentylsulfanyl-2-oxo-propylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester::benzyl (S)-1-((S)-4-(cyclopentylthio)-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)CSC1CCCC1)OCc1ccccc1

InChI Key: InChIKey=IEOBSOCWQJFAKT-VMPREFPWSA-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 = 50108870   

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)	BDBM50108870 (CHEMBL159089 | [1-(1-Benzyl-3-cyclopentylsulfanyl-...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC1CCCC1)OCc1ccccc1 Show InChI InChI=1S/C32H36N2O4S/c35-30(23-39-27-18-10-11-19-27)28(20-24-12-4-1-5-13-24)33-31(36)29(21-25-14-6-2-7-15-25)34-32(37)38-22-26-16-8-3-9-17-26/h1-9,12-17,27-29H,10-11,18-23H2,(H,33,36)(H,34,37)/t28-,29-/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)	BDBM50108870 (CHEMBL159089 | [1-(1-Benzyl-3-cyclopentylsulfanyl-...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC1CCCC1)OCc1ccccc1 Show InChI InChI=1S/C32H36N2O4S/c35-30(23-39-27-18-10-11-19-27)28(20-24-12-4-1-5-13-24)33-31(36)29(21-25-14-6-2-7-15-25)34-32(37)38-22-26-16-8-3-9-17-26/h1-9,12-17,27-29H,10-11,18-23H2,(H,33,36)(H,34,37)/t28-,29-/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