null

SMILES: NC(=O)N1CCc2c(C1)c(nn2CCCN1CCN(CC1)c1ccccc1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1

InChI Key: InChIKey=OMCRIJQOIAKPRU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50425894   

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))	BDBM50425894 (CHEMBL2313001) Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCN(CC1)c1ccccc1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C42H43Cl2N7O/c43-36-16-12-33(13-17-36)29-46-28-32-9-7-31(8-10-32)11-14-34-27-35(15-18-39(34)44)41-38-30-50(42(45)52)22-19-40(38)51(47-41)21-4-20-48-23-25-49(26-24-48)37-5-2-1-3-6-37/h1-3,5-10,12-13,15-18,27,46H,4,19-26,28-30H2,(H2,45,52)	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	710	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))	BDBM50425894 (CHEMBL2313001) Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCN(CC1)c1ccccc1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C42H43Cl2N7O/c43-36-16-12-33(13-17-36)29-46-28-32-9-7-31(8-10-32)11-14-34-27-35(15-18-39(34)44)41-38-30-50(42(45)52)22-19-40(38)51(47-41)21-4-20-48-23-25-49(26-24-48)37-5-2-1-3-6-37/h1-3,5-10,12-13,15-18,27,46H,4,19-26,28-30H2,(H2,45,52)	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	40	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