null

SMILES: NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(cc1)C(=O)NCc1cccnc1

InChI Key: InChIKey=IFCUEJZPEUAURM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50425887   

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))	BDBM50425887 (CHEMBL2312670) Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(cc1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C35H36ClN7O2S/c36-31-11-10-29(21-28(31)9-6-25-4-7-27(8-5-25)34(44)39-23-26-3-1-13-38-22-26)33-30-24-42(35(37)45)16-12-32(30)43(40-33)15-2-14-41-17-19-46-20-18-41/h1,3-5,7-8,10-11,13,21-22H,2,12,14-20,23-24H2,(H2,37,45)(H,39,44)	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))	BDBM50425887 (CHEMBL2312670) Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(cc1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C35H36ClN7O2S/c36-31-11-10-29(21-28(31)9-6-25-4-7-27(8-5-25)34(44)39-23-26-3-1-13-38-22-26)33-30-24-42(35(37)45)16-12-32(30)43(40-33)15-2-14-41-17-19-46-20-18-41/h1,3-5,7-8,10-11,13,21-22H,2,12,14-20,23-24H2,(H2,37,45)(H,39,44)	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	90	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