null

SMILES: Clc1ccc(COC[C@H](NC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)C#N)cc1

InChI Key: InChIKey=RLCMZZFDSWBVOS-FYYLOGMGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50208844   

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
Cathepsin S (Homo sapiens (Human))	BDBM50208844 ((R)-N-((R)-2-(3-chlorobenzyloxy)-1-cyanoethyl)-2-(...) Show SMILES Clc1ccc(COC[C@H](NC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)C#N)cc1 Show InChI InChI=1S/C25H34ClN3O4/c26-22-8-6-20(7-9-22)17-33-18-23(16-27)28-25(31)21(14-19-4-2-1-3-5-19)15-24(30)29-10-12-32-13-11-29/h6-9,19,21,23H,1-5,10-15,17-18H2,(H,28,31)/t21-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.86	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 17: 2465-9 (2007) Article DOI: 10.1016/j.bmcl.2007.02.046 BindingDB Entry DOI: 10.7270/Q24X57G7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50208844 ((R)-N-((R)-2-(3-chlorobenzyloxy)-1-cyanoethyl)-2-(...) Show SMILES Clc1ccc(COC[C@H](NC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)C#N)cc1 Show InChI InChI=1S/C25H34ClN3O4/c26-22-8-6-20(7-9-22)17-33-18-23(16-27)28-25(31)21(14-19-4-2-1-3-5-19)15-24(30)29-10-12-32-13-11-29/h6-9,19,21,23H,1-5,10-15,17-18H2,(H,28,31)/t21-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 17: 2465-9 (2007) Article DOI: 10.1016/j.bmcl.2007.02.046 BindingDB Entry DOI: 10.7270/Q24X57G7
					More data for this Ligand-Target Pair