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BDBM50162836 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)-3-methyl-1,3-dihydro-benzoimidazol-2-one::CHEMBL183243

SMILES: Cn1c2ccccc2n(C2CCN(CCCn3nc(c4CN(CCc34)S(C)(=O)=O)-c3ccc(Br)cc3)CC2)c1=O

InChI Key: InChIKey=GSWZHKVFOIAGIM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50162836   
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))
BDBM50162836
PNG
(1-(1-{3-[3-(4-Bromo-phenyl)-5-methanesulfonyl-4,5,...)
Show SMILES Cn1c2ccccc2n(C2CCN(CCCn3nc(c4CN(CCc34)S(C)(=O)=O)-c3ccc(Br)cc3)CC2)c1=O
Show InChI InChI=1S/C29H35BrN6O3S/c1-32-26-6-3-4-7-27(26)36(29(32)37)23-12-17-33(18-13-23)15-5-16-35-25-14-19-34(40(2,38)39)20-24(25)28(31-35)21-8-10-22(30)11-9-21/h3-4,6-11,23H,5,12-20H2,1-2H3
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Similars

Article
PubMed
n/an/a 140n/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