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BDBM50390874 CHEMBL2070966

SMILES: COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc(F)c2)n1

InChI Key: InChIKey=LGOFGFAWDWWMFQ-HXUWFJFHSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50390874   
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
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50390874
PNG
(CHEMBL2070966)
Show SMILES COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc(F)c2)n1 |r|
Show InChI InChI=1S/C22H22FN3O4S2/c1-30-17-10-8-15(9-11-17)19-14-31-22(24-19)25-21(27)20-7-2-3-12-26(20)32(28,29)18-6-4-5-16(23)13-18/h4-6,8-11,13-14,20H,2-3,7,12H2,1H3,(H,24,25,27)/t20-/m1/s1
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Article
PubMed
n/an/an/an/a 1.16E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay


Bioorg Med Chem Lett 22: 5936-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.060
BindingDB Entry DOI: 10.7270/Q25T3MKN
More data for this
Ligand-Target Pair