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SMILES: Fc1cccc(F)c1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc12

InChI Key: InChIKey=KGXDTVHRHKTTQK-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50379459   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379459
PNG
(CHEMBL2012274)
Show SMILES Fc1cccc(F)c1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc12
Show InChI InChI=1S/C22H21F2N5OS/c23-19-2-1-3-20(24)18(19)11-29-9-6-17-21(29)25-13-26-22(17)30-16-4-7-28(8-5-16)10-15-12-31-14-27-15/h1-3,6,9,12-14,16H,4-5,7-8,10-11H2
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MMDB

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2.30E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2052-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.015
BindingDB Entry DOI: 10.7270/Q2HM59GC
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50379459
PNG
(CHEMBL2012274)
Show SMILES Fc1cccc(F)c1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc12
Show InChI InChI=1S/C22H21F2N5OS/c23-19-2-1-3-20(24)18(19)11-29-9-6-17-21(29)25-13-26-22(17)30-16-4-7-28(8-5-16)10-15-12-31-14-27-15/h1-3,6,9,12-14,16H,4-5,7-8,10-11H2
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n/an/a 160n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human NaV1.7 channel by patchXpress assay


Bioorg Med Chem Lett 22: 2052-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.015
BindingDB Entry DOI: 10.7270/Q2HM59GC
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50379459
PNG
(CHEMBL2012274)
Show SMILES Fc1cccc(F)c1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc12
Show InChI InChI=1S/C22H21F2N5OS/c23-19-2-1-3-20(24)18(19)11-29-9-6-17-21(29)25-13-26-22(17)30-16-4-7-28(8-5-16)10-15-12-31-14-27-15/h1-3,6,9,12-14,16H,4-5,7-8,10-11H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human NaV1.5 channel by patchXpress assay


Bioorg Med Chem Lett 22: 2052-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.015
BindingDB Entry DOI: 10.7270/Q2HM59GC
More data for this
Ligand-Target Pair