null

SMILES: NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(COCc2cccnc2)cc1

InChI Key: InChIKey=HZCOFZCUIMGIDW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50425885   

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))	BDBM50425885 (CHEMBL2312672) Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(COCc2cccnc2)cc1 Show InChI InChI=1S/C35H37ClN6O2S/c36-32-11-10-30(21-29(32)9-8-26-4-6-27(7-5-26)24-44-25-28-3-1-13-38-22-28)34-31-23-41(35(37)43)16-12-33(31)42(39-34)15-2-14-40-17-19-45-20-18-40/h1,3-7,10-11,13,21-22H,2,12,14-20,23-25H2,(H2,37,43)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells assessed as invariant chain-li degradation				Bioorg Med Chem Lett 23: 1070-4 (2013) Article DOI: 10.1016/j.bmcl.2012.12.014 BindingDB Entry DOI: 10.7270/Q2T43VD9
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50425885 (CHEMBL2312672) Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(COCc2cccnc2)cc1 Show InChI InChI=1S/C35H37ClN6O2S/c36-32-11-10-30(21-29(32)9-8-26-4-6-27(7-5-26)24-44-25-28-3-1-13-38-22-28)34-31-23-41(35(37)43)16-12-33(31)42(39-34)15-2-14-40-17-19-45-20-18-40/h1,3-7,10-11,13,21-22H,2,12,14-20,23-25H2,(H2,37,43)	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	70	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 23: 1070-4 (2013) Article DOI: 10.1016/j.bmcl.2012.12.014 BindingDB Entry DOI: 10.7270/Q2T43VD9
					More data for this Ligand-Target Pair