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SMILES: Fc1cccc(CN2CCC(CC2)Oc2ncnc3n(Cc4ccccc4)ccc23)n1

InChI Key: InChIKey=BMIXXIGEPMPTIS-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 = 50379468   
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))
BDBM50379468
PNG
(CHEMBL2012294)
Show SMILES Fc1cccc(CN2CCC(CC2)Oc2ncnc3n(Cc4ccccc4)ccc23)n1
Show InChI InChI=1S/C24H24FN5O/c25-22-8-4-7-19(28-22)16-29-12-9-20(10-13-29)31-24-21-11-14-30(23(21)26-17-27-24)15-18-5-2-1-3-6-18/h1-8,11,14,17,20H,9-10,12-13,15-16H2
PDB
MMDB

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2.90E+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))
BDBM50379468
PNG
(CHEMBL2012294)
Show SMILES Fc1cccc(CN2CCC(CC2)Oc2ncnc3n(Cc4ccccc4)ccc23)n1
Show InChI InChI=1S/C24H24FN5O/c25-22-8-4-7-19(28-22)16-29-12-9-20(10-13-29)31-24-21-11-14-30(23(21)26-17-27-24)15-18-5-2-1-3-6-18/h1-8,11,14,17,20H,9-10,12-13,15-16H2
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n/an/a 1.13E+3n/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))
BDBM50379468
PNG
(CHEMBL2012294)
Show SMILES Fc1cccc(CN2CCC(CC2)Oc2ncnc3n(Cc4ccccc4)ccc23)n1
Show InChI InChI=1S/C24H24FN5O/c25-22-8-4-7-19(28-22)16-29-12-9-20(10-13-29)31-24-21-11-14-30(23(21)26-17-27-24)15-18-5-2-1-3-6-18/h1-8,11,14,17,20H,9-10,12-13,15-16H2
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 550n/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