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SMILES: Fc1cccc(Cn2ccc3c(OC4CCN(Cc5ccccn5)CC4)ncnc23)c1F

InChI Key: InChIKey=PNUXVRFTINUPJH-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 = 50379437   
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))
BDBM50379437
PNG
(CHEMBL2012299)
Show SMILES Fc1cccc(Cn2ccc3c(OC4CCN(Cc5ccccn5)CC4)ncnc23)c1F
Show InChI InChI=1S/C24H23F2N5O/c25-21-6-3-4-17(22(21)26)14-31-13-9-20-23(31)28-16-29-24(20)32-19-7-11-30(12-8-19)15-18-5-1-2-10-27-18/h1-6,9-10,13,16,19H,7-8,11-12,14-15H2
PDB
MMDB

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1.00E+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))
BDBM50379437
PNG
(CHEMBL2012299)
Show SMILES Fc1cccc(Cn2ccc3c(OC4CCN(Cc5ccccn5)CC4)ncnc23)c1F
Show InChI InChI=1S/C24H23F2N5O/c25-21-6-3-4-17(22(21)26)14-31-13-9-20-23(31)28-16-29-24(20)32-19-7-11-30(12-8-19)15-18-5-1-2-10-27-18/h1-6,9-10,13,16,19H,7-8,11-12,14-15H2
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n/an/a 40n/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))
BDBM50379437
PNG
(CHEMBL2012299)
Show SMILES Fc1cccc(Cn2ccc3c(OC4CCN(Cc5ccccn5)CC4)ncnc23)c1F
Show InChI InChI=1S/C24H23F2N5O/c25-21-6-3-4-17(22(21)26)14-31-13-9-20-23(31)28-16-29-24(20)32-19-7-11-30(12-8-19)15-18-5-1-2-10-27-18/h1-6,9-10,13,16,19H,7-8,11-12,14-15H2
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 20n/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