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BDBM50162857 1-(1-{3-[3-(4-Bromo-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::CHEMBL180876

SMILES: CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)-c1ccc(Br)cc1

InChI Key: InChIKey=XONZZCVVDBXKTI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50162857   
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))
BDBM50162857
PNG
(1-(1-{3-[3-(4-Bromo-phenyl)-5-methanesulfonyl-4,5,...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C28H33BrN6O3S/c1-39(37,38)33-18-13-25-23(19-33)27(20-7-9-21(29)10-8-20)31-34(25)15-4-14-32-16-11-22(12-17-32)35-26-6-3-2-5-24(26)30-28(35)36/h2-3,5-10,22H,4,11-19H2,1H3,(H,30,36)
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Similars

Article
PubMed
n/an/a 50n/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