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BDBM50162822 1-(1-{3-[3-(3,4-Dichloro-phenyl)-5-methanesulfonyl-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propyl}-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one::CHEMBL361095

SMILES: CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)-c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=MKYGARNTUSGEEH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50162822   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cathepsin S


(Homo sapiens (Human))
BDBM50162822
PNG
(1-(1-{3-[3-(3,4-Dichloro-phenyl)-5-methanesulfonyl...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H32Cl2N6O3S/c1-40(38,39)34-16-11-25-21(18-34)27(19-7-8-22(29)23(30)17-19)32-35(25)13-4-12-33-14-9-20(10-15-33)36-26-6-3-2-5-24(26)31-28(36)37/h2-3,5-8,17,20H,4,9-16,18H2,1H3,(H,31,37)
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair