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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50417404   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417404
PNG
(CHEMBL1289609)
Show SMILES Cc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(4.72,-25.12,;4.71,-26.66,;6.04,-27.44,;6.02,-28.99,;4.68,-29.74,;3.36,-28.95,;3.37,-27.42,;2.02,-29.7,;.63,-29.06,;-.42,-30.2,;-1.16,-31.54,;-2.7,-31.58,;-3.49,-30.26,;-2.76,-28.91,;-1.22,-28.88,;-5.03,-30.29,;-5.91,-31.56,;-7.39,-31.12,;-8.71,-31.92,;-10.06,-31.19,;-10.09,-29.64,;-11.46,-28.9,;-11.48,-27.37,;-12.84,-26.63,;-10.17,-26.56,;-11.44,-25.82,;-8.78,-28.84,;-7.43,-29.57,;-5.97,-29.06,;.34,-31.53,;1.85,-31.23,;2.98,-32.28,)|
Show InChI InChI=1S/C22H21F3N4O3/c1-13-3-2-4-18(26-13)29-12-21(32-20(29)30)9-7-14(8-10-21)19-27-16-6-5-15(11-17(16)28-19)31-22(23,24)25/h2-6,11,14H,7-10,12H2,1H3,(H,27,28)/t14-,21-
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair