BDBM50314167 1-(1-(3-(5-(methylsulfonyl)-3-(3-(2-(4-phenylpiperidin-1-yl)ethylthio)-4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)pyrrolidin-2-one::CHEMBL1093955

SMILES: CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCC(CC2)c2ccccc2)c1)C(F)(F)F

InChI Key: InChIKey=CSJMKFCEBMWQIS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314167   

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))	BDBM50314167 (1-(1-(3-(5-(methylsulfonyl)-3-(3-(2-(4-phenylpiper...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCC(CC2)c2ccccc2)c1)C(F)(F)F Show InChI InChI=1S/C39H51F3N6O3S2/c1-53(50,51)46-24-16-35-33(28-46)38(43-48(35)19-6-17-44-22-14-32(15-23-44)47-18-5-9-37(47)49)31-10-11-34(39(40,41)42)36(27-31)52-26-25-45-20-12-30(13-21-45)29-7-3-2-4-8-29/h2-4,7-8,10-11,27,30,32H,5-6,9,12-26,28H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells assessed as inhibition of invariant chain degradation				Bioorg Med Chem Lett 20: 2370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.108 BindingDB Entry DOI: 10.7270/Q2G160Z4
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50314167 (1-(1-(3-(5-(methylsulfonyl)-3-(3-(2-(4-phenylpiper...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCC(CC2)c2ccccc2)c1)C(F)(F)F Show InChI InChI=1S/C39H51F3N6O3S2/c1-53(50,51)46-24-16-35-33(28-46)38(43-48(35)19-6-17-44-22-14-32(15-23-44)47-18-5-9-37(47)49)31-10-11-34(39(40,41)42)36(27-31)52-26-25-45-20-12-30(13-21-45)29-7-3-2-4-8-29/h2-4,7-8,10-11,27,30,32H,5-6,9,12-26,28H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 20: 2370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.108 BindingDB Entry DOI: 10.7270/Q2G160Z4
					More data for this Ligand-Target Pair