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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50414578   
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))
BDBM50414578
PNG
(CHEMBL558058)
Show SMILES CN(CCN1CCN(C1=O)c1cccc(c1)C(F)(F)F)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
Show InChI InChI=1S/C23H32F3N3O/c1-21(2)17-7-9-22(21,10-8-17)16-27(3)11-12-28-13-14-29(20(28)30)19-6-4-5-18(15-19)23(24,25)26/h4-6,15,17H,7-14,16H2,1-3H3/t17-,22+
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Article
PubMed
n/an/a 6.31E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG


Bioorg Med Chem Lett 19: 5056-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.055
BindingDB Entry DOI: 10.7270/Q2PR7X7C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50414578
PNG
(CHEMBL558058)
Show SMILES CN(CCN1CCN(C1=O)c1cccc(c1)C(F)(F)F)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
Show InChI InChI=1S/C23H32F3N3O/c1-21(2)17-7-9-22(21,10-8-17)16-27(3)11-12-28-13-14-29(20(28)30)19-6-4-5-18(15-19)23(24,25)26/h4-6,15,17H,7-14,16H2,1-3H3/t17-,22+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.31E+3n/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG channel by scintillation proximity assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair