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BDBM50314186 (+/-)-1-(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-yl)ethylthio)-4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)-3-(propylamino)propan-2-ol::CHEMBL1091047

SMILES: CCCNCC(O)Cn1nc(c2CN(CCc12)S(C)(=O)=O)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F

InChI Key: InChIKey=FALXBEBAALSISH-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50314186   
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))
BDBM50314186
PNG
((+/-)-1-(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-y...)
Show SMILES CCCNCC(O)Cn1nc(c2CN(CCc12)S(C)(=O)=O)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
Show InChI InChI=1/C27H40F3N5O3S2/c1-3-10-31-17-21(36)18-35-24-9-13-34(40(2,37)38)19-22(24)26(32-35)20-7-8-23(27(28,29)30)25(16-20)39-15-14-33-11-5-4-6-12-33/h7-8,16,21,31,36H,3-6,9-15,17-19H2,1-2H3
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Article
PubMed
n/an/a 595n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair