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BDBM50314160 1-(1-(3-(3-(3-(2-(dimethylamino)ethylthio)-4-(trifluoromethyl)phenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)pyrrolidin-2-one::CHEMBL1076795

SMILES: CN(C)CCSc1cc(ccc1C(F)(F)F)-c1nn(CCCN2CCC(CC2)N2CCCC2=O)c2CCN(Cc12)S(C)(=O)=O

InChI Key: InChIKey=XMUHUIQHGFGRKD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50314160   
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))
BDBM50314160
PNG
(1-(1-(3-(3-(3-(2-(dimethylamino)ethylthio)-4-(trif...)
Show SMILES CN(C)CCSc1cc(ccc1C(F)(F)F)-c1nn(CCCN2CCC(CC2)N2CCCC2=O)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C30H43F3N6O3S2/c1-35(2)18-19-43-27-20-22(7-8-25(27)30(31,32)33)29-24-21-37(44(3,41)42)17-11-26(24)39(34-29)14-5-12-36-15-9-23(10-16-36)38-13-4-6-28(38)40/h7-8,20,23H,4-6,9-19,21H2,1-3H3
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Article
PubMed
n/an/a 1.28E+3n/an/an/an/an/an/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