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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'KCNQ (Kv7) potassium channel' and Ligand = 'BDBM50395463'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395463
PNG
(CHEMBL2163682)
Show SMILES CCC(C(=O)Nc1ccccc1-n1c(C)ccc1C)c1ccccc1 |(14.86,-21.63,;13.53,-22.39,;12.2,-21.61,;10.86,-22.36,;10.84,-23.89,;9.53,-21.58,;8.19,-22.33,;8.17,-23.87,;6.83,-24.62,;5.5,-23.84,;5.52,-22.3,;6.87,-21.54,;6.88,-20,;5.65,-19.09,;4.19,-19.54,;6.14,-17.63,;7.68,-17.65,;8.14,-19.12,;9.6,-19.61,;12.22,-20.07,;10.89,-19.28,;10.91,-17.74,;12.25,-16.99,;13.57,-17.77,;13.56,-19.31,)|
Show InChI InChI=1S/C22H24N2O/c1-4-19(18-10-6-5-7-11-18)22(25)23-20-12-8-9-13-21(20)24-16(2)14-15-17(24)3/h5-15,19H,4H2,1-3H3,(H,23,25)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist 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
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair