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BDBM50212227 CHEMBL3921772

SMILES: COc1cc(c(F)cc1-n1c2CCN(Cc2ccc1=O)S(=O)(=O)Nc1cccnn1)-c1ccc(F)c(c1)C(F)(F)F

InChI Key: InChIKey=YNLYIMWOUYDGRJ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50212227   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50212227
PNG
(CHEMBL3921772)
Show SMILES COc1cc(c(F)cc1-n1c2CCN(Cc2ccc1=O)S(=O)(=O)Nc1cccnn1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H20F5N5O4S/c1-40-23-12-17(15-4-6-19(27)18(11-15)26(29,30)31)20(28)13-22(23)36-21-8-10-35(14-16(21)5-7-25(36)37)41(38,39)34-24-3-2-9-32-33-24/h2-7,9,11-13H,8,10,14H2,1H3,(H,33,34)
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Similars

Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential yielding 20 to 50% inactivation measured after 3 mins by patchXpress electr...


ACS Med Chem Lett 8: 278-280 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00049
BindingDB Entry DOI: 10.7270/Q2QJ7KF5
More data for this
Ligand-Target Pair