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SMILES: Cc1ccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc23)cc1

InChI Key: InChIKey=GMNUDKNXDRQFJE-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 = 50379453   
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))
BDBM50379453
PNG
(CHEMBL2012267)
Show SMILES Cc1ccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc23)cc1
Show InChI InChI=1S/C23H25N5OS/c1-17-2-4-18(5-3-17)12-28-11-8-21-22(28)24-15-25-23(21)29-20-6-9-27(10-7-20)13-19-14-30-16-26-19/h2-5,8,11,14-16,20H,6-7,9-10,12-13H2,1H3
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2.75E+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))
BDBM50379453
PNG
(CHEMBL2012267)
Show SMILES Cc1ccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc23)cc1
Show InChI InChI=1S/C23H25N5OS/c1-17-2-4-18(5-3-17)12-28-11-8-21-22(28)24-15-25-23(21)29-20-6-9-27(10-7-20)13-19-14-30-16-26-19/h2-5,8,11,14-16,20H,6-7,9-10,12-13H2,1H3
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n/an/a 2.90E+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))
BDBM50379453
PNG
(CHEMBL2012267)
Show SMILES Cc1ccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc23)cc1
Show InChI InChI=1S/C23H25N5OS/c1-17-2-4-18(5-3-17)12-28-11-8-21-22(28)24-15-25-23(21)29-20-6-9-27(10-7-20)13-19-14-30-16-26-19/h2-5,8,11,14-16,20H,6-7,9-10,12-13H2,1H3
PDB

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UniProtKB/SwissProt

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antibodypedia
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Article
PubMed
n/an/a 2.20E+3n/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