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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Voltage-gated potassium channel' and Ligand = 'BDBM50398269'   
Target
(Institution)
LigandTarget
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50398269
PNG
(CHEMBL2177301)
Show SMILES CCn1cc(cc(C)c1=O)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(F)c1
Show InChI InChI=1S/C27H22F2N4O/c1-3-33-15-20(10-16(2)26(33)34)27(22-8-5-9-23(29)24(22)25(30)32-27)19-7-4-6-17(11-19)18-12-21(28)14-31-13-18/h4-15H,3H2,1-2H3,(H2,30,32)
PDB
MMDB

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Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks assay


J Med Chem 55: 9346-61 (2012)

More data for this
Ligand-Target Pair