null

SMILES: NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)c(c1)C(=O)NCCN1CCOCC1

InChI Key: InChIKey=PKLVMMQQVRPJQX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50425881   

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))	BDBM50425881 (CHEMBL2312676) Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)c(c1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C35H41Cl2N7O3S/c36-30-7-5-27(33-29-24-43(35(38)46)12-8-32(29)44(40-33)11-1-10-41-16-20-48-21-17-41)23-26(30)4-2-25-3-6-31(37)28(22-25)34(45)39-9-13-42-14-18-47-19-15-42/h3,5-7,22-23H,1,8-21,24H2,(H2,38,46)(H,39,45)	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	610	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))	BDBM50425881 (CHEMBL2312676) Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)c(c1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C35H41Cl2N7O3S/c36-30-7-5-27(33-29-24-43(35(38)46)12-8-32(29)44(40-33)11-1-10-41-16-20-48-21-17-41)23-26(30)4-2-25-3-6-31(37)28(22-25)34(45)39-9-13-42-14-18-47-19-15-42/h3,5-7,22-23H,1,8-21,24H2,(H2,38,46)(H,39,45)	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