BDBM50108866 (1-{1-Benzyl-3-[1-(2,2-dimethyl-propyl)-1,3,3-trimethyl-butylsulfanyl]-2-oxo-propylcarbamoyl}-2-phenyl-ethyl)-carbamic acid benzyl ester::CHEMBL161573::benzyl (S)-1-oxo-1-((S)-3-oxo-4-(2,2,4,6,6-pentamethylheptan-4-ylthio)-1-phenylbutan-2-ylamino)-3-phenylpropan-2-ylcarbamate

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

InChI Key: InChIKey=AGJFKAQFUPEMLX-LQJZCPKCSA-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 = 50108866   

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)	BDBM50108866 ((1-{1-Benzyl-3-[1-(2,2-dimethyl-propyl)-1,3,3-trim...) Show SMILES CC(C)(C)CC(C)(CC(C)(C)C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C39H52N2O4S/c1-37(2,3)27-39(7,28-38(4,5)6)46-26-34(42)32(23-29-17-11-8-12-18-29)40-35(43)33(24-30-19-13-9-14-20-30)41-36(44)45-25-31-21-15-10-16-22-31/h8-22,32-33H,23-28H2,1-7H3,(H,40,43)(H,41,44)/t32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	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)	BDBM50108866 ((1-{1-Benzyl-3-[1-(2,2-dimethyl-propyl)-1,3,3-trim...) Show SMILES CC(C)(C)CC(C)(CC(C)(C)C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C39H52N2O4S/c1-37(2,3)27-39(7,28-38(4,5)6)46-26-34(42)32(23-29-17-11-8-12-18-29)40-35(43)33(24-30-19-13-9-14-20-30)41-36(44)45-25-31-21-15-10-16-22-31/h8-22,32-33H,23-28H2,1-7H3,(H,40,43)(H,41,44)/t32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	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