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SMILES: Cn1c(SCc2ccc(cc2)C(C)(C)C)nc(N)cc1=O

InChI Key: InChIKey=AJMIFZLEDTUBTN-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 5 hits for monomerid = 50362580   
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))
BDBM50362580
PNG
(CHEMBL1938867)
Show SMILES Cn1c(SCc2ccc(cc2)C(C)(C)C)nc(N)cc1=O
Show InChI InChI=1S/C16H21N3OS/c1-16(2,3)12-7-5-11(6-8-12)10-21-15-18-13(17)9-14(20)19(15)4/h5-9H,10,17H2,1-4H3
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MMDB

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>1.50E+4n/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: 1055-60 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.111
BindingDB Entry DOI: 10.7270/Q2CV4J7X
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50362580
PNG
(CHEMBL1938867)
Show SMILES Cn1c(SCc2ccc(cc2)C(C)(C)C)nc(N)cc1=O
Show InChI InChI=1S/C16H21N3OS/c1-16(2,3)12-7-5-11(6-8-12)10-21-15-18-13(17)9-14(20)19(15)4/h5-9H,10,17H2,1-4H3
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PC cid
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n/an/a 500n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at non-inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by manual patch-clamp electrophysiological assay


Bioorg Med Chem Lett 22: 1055-60 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.111
BindingDB Entry DOI: 10.7270/Q2CV4J7X
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50362580
PNG
(CHEMBL1938867)
Show SMILES Cn1c(SCc2ccc(cc2)C(C)(C)C)nc(N)cc1=O
Show InChI InChI=1S/C16H21N3OS/c1-16(2,3)12-7-5-11(6-8-12)10-21-15-18-13(17)9-14(20)19(15)4/h5-9H,10,17H2,1-4H3
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PC cid
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n/an/a 200n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at partially inactivated human sodium channel Nav1.5 expressed in human HEK293 cells by patch-clamp electrophysiological assay


Bioorg Med Chem Lett 22: 1055-60 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.111
BindingDB Entry DOI: 10.7270/Q2CV4J7X
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50362580
PNG
(CHEMBL1938867)
Show SMILES Cn1c(SCc2ccc(cc2)C(C)(C)C)nc(N)cc1=O
Show InChI InChI=1S/C16H21N3OS/c1-16(2,3)12-7-5-11(6-8-12)10-21-15-18-13(17)9-14(20)19(15)4/h5-9H,10,17H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at 20% inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by manual patch-clamp electrophysiological assay


Bioorg Med Chem Lett 22: 1055-60 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.111
BindingDB Entry DOI: 10.7270/Q2CV4J7X
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50362580
PNG
(CHEMBL1938867)
Show SMILES Cn1c(SCc2ccc(cc2)C(C)(C)C)nc(N)cc1=O
Show InChI InChI=1S/C16H21N3OS/c1-16(2,3)12-7-5-11(6-8-12)10-21-15-18-13(17)9-14(20)19(15)4/h5-9H,10,17H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at 20% inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay


Bioorg Med Chem Lett 22: 1055-60 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.111
BindingDB Entry DOI: 10.7270/Q2CV4J7X
More data for this
Ligand-Target Pair