BDBM50108855 CHEMBL352168::[1-(3-tert-Butylsulfanyl-2-oxo-1-phenethyl-propylcarbamoyl)-3-methyl-butyl]-carbamic acid pyridin-3-ylmethyl ester

SMILES: CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSC(C)(C)C

InChI Key: InChIKey=WUKLOIZMYLWBNL-ZEQRLZLVSA-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 = 50108855   

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)	BDBM50108855 (CHEMBL352168 | [1-(3-tert-Butylsulfanyl-2-oxo-1-ph...) Show SMILES CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSC(C)(C)C Show InChI InChI=1S/C28H39N3O4S/c1-20(2)16-24(31-27(34)35-18-22-12-9-15-29-17-22)26(33)30-23(25(32)19-36-28(3,4)5)14-13-21-10-7-6-8-11-21/h6-12,15,17,20,23-24H,13-14,16,18-19H2,1-5H3,(H,30,33)(H,31,34)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	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))	BDBM50108855 (CHEMBL352168 | [1-(3-tert-Butylsulfanyl-2-oxo-1-ph...) Show SMILES CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSC(C)(C)C Show InChI InChI=1S/C28H39N3O4S/c1-20(2)16-24(31-27(34)35-18-22-12-9-15-29-17-22)26(33)30-23(25(32)19-36-28(3,4)5)14-13-21-10-7-6-8-11-21/h6-12,15,17,20,23-24H,13-14,16,18-19H2,1-5H3,(H,30,33)(H,31,34)/t23-,24-/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	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 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))	BDBM50108855 (CHEMBL352168 | [1-(3-tert-Butylsulfanyl-2-oxo-1-ph...) Show SMILES CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSC(C)(C)C Show InChI InChI=1S/C28H39N3O4S/c1-20(2)16-24(31-27(34)35-18-22-12-9-15-29-17-22)26(33)30-23(25(32)19-36-28(3,4)5)14-13-21-10-7-6-8-11-21/h6-12,15,17,20,23-24H,13-14,16,18-19H2,1-5H3,(H,30,33)(H,31,34)/t23-,24-/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	1.30E+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 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