BDBM50108846 CHEMBL161038::[1-(3-tert-Butylsulfanyl-2-oxo-1-phenethyl-propylcarbamoyl)-2-phenyl-ethyl]-carbamic acid pyridin-3-ylmethyl ester

SMILES: CC(C)(C)SCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1

InChI Key: InChIKey=PREAUSWWUOHODN-SVBPBHIXSA-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 = 50108846   

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)	BDBM50108846 (CHEMBL161038 | [1-(3-tert-Butylsulfanyl-2-oxo-1-ph...) Show SMILES CC(C)(C)SCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 Show InChI InChI=1S/C31H37N3O4S/c1-31(2,3)39-22-28(35)26(17-16-23-11-6-4-7-12-23)33-29(36)27(19-24-13-8-5-9-14-24)34-30(37)38-21-25-15-10-18-32-20-25/h4-15,18,20,26-27H,16-17,19,21-22H2,1-3H3,(H,33,36)(H,34,37)/t26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	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
Procathepsin L (Homo sapiens (Human))	BDBM50108846 (CHEMBL161038 | [1-(3-tert-Butylsulfanyl-2-oxo-1-ph...) Show SMILES CC(C)(C)SCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 Show InChI InChI=1S/C31H37N3O4S/c1-31(2,3)39-22-28(35)26(17-16-23-11-6-4-7-12-23)33-29(36)27(19-24-13-8-5-9-14-24)34-30(37)38-21-25-15-10-18-32-20-25/h4-15,18,20,26-27H,16-17,19,21-22H2,1-3H3,(H,33,36)(H,34,37)/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.60	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 of the compound against human Cathepsin L				J Med Chem 45: 676-84 (2002) BindingDB Entry DOI: 10.7270/Q2ZK5G0V
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50108846 (CHEMBL161038 | [1-(3-tert-Butylsulfanyl-2-oxo-1-ph...) Show SMILES CC(C)(C)SCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 Show InChI InChI=1S/C31H37N3O4S/c1-31(2,3)39-22-28(35)26(17-16-23-11-6-4-7-12-23)33-29(36)27(19-24-13-8-5-9-14-24)34-30(37)38-21-25-15-10-18-32-20-25/h4-15,18,20,26-27H,16-17,19,21-22H2,1-3H3,(H,33,36)(H,34,37)/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	600	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 of the compound against human Cathepsin B				J Med Chem 45: 676-84 (2002) BindingDB Entry DOI: 10.7270/Q2ZK5G0V
					More data for this Ligand-Target Pair