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BDBM50395477 CHEMBL2163679

SMILES: CCC(C(=O)Nc1ccccc1-n1c(O)ccc1O)c1ccccc1

InChI Key: InChIKey=RRXQHNBIUGLMGG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50395477   
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))
BDBM50395477
PNG
(CHEMBL2163679)
Show SMILES CCC(C(=O)Nc1ccccc1-n1c(O)ccc1O)c1ccccc1 |(13.24,-55.63,;12.47,-54.3,;10.93,-54.3,;10.16,-52.96,;10.93,-51.64,;8.62,-52.96,;7.85,-51.64,;8.62,-50.3,;7.85,-48.97,;6.31,-48.97,;5.54,-50.3,;6.31,-51.64,;5.54,-52.96,;5.97,-54.44,;7.41,-54.97,;4.69,-55.31,;3.48,-54.36,;4.01,-52.92,;3.15,-51.63,;10.16,-55.63,;8.62,-55.63,;7.85,-56.96,;8.62,-58.3,;10.16,-58.3,;10.93,-56.96,)|
Show InChI InChI=1S/C20H20N2O3/c1-2-15(14-8-4-3-5-9-14)20(25)21-16-10-6-7-11-17(16)22-18(23)12-13-19(22)24/h3-13,15,23-24H,2H2,1H3,(H,21,25)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
More data for this
Ligand-Target Pair