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BDBM231468 US9346798, 215

SMILES: Fc1cc2N(CCOc2cc1S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F

InChI Key: InChIKey=YYWBVRDWEWYDOV-UHFFFAOYSA-N

Data: 10 IC50

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 10 hits for monomerid = 231468   
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
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM231468
PNG
(US9346798, 215)
Show SMILES Fc1cc2N(CCOc2cc1S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F
Show InChI InChI=1S/C19H12F4N4O3S2/c20-13-8-15-16(9-17(13)32(28,29)26-18-25-3-6-31-18)30-5-4-27(15)14-2-1-12(19(21,22)23)7-11(14)10-24/h1-3,6-9H,4-5H2,(H,25,26)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 203n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
HEK 293 cells stably transfected with either Nav 1.7 or with Nav 1.5 were recorded in population patch-clamp mode with the IonWorks® Quattro auto...


US Patent US9346798 (2016)


BindingDB Entry DOI: 10.7270/Q24X56N2
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM231468
PNG
(US9346798, 215)
Show SMILES Fc1cc2N(CCOc2cc1S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F
Show InChI InChI=1S/C19H12F4N4O3S2/c20-13-8-15-16(9-17(13)32(28,29)26-18-25-3-6-31-18)30-5-4-27(15)14-2-1-12(19(21,22)23)7-11(14)10-24/h1-3,6-9H,4-5H2,(H,25,26)
PDB

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UniChem
US Patent
n/an/a 9.86n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
HEK 293 cells stably transfected with either Nav 1.7 or with Nav 1.5 were recorded in population patch-clamp mode with the IonWorks® Quattro auto...


US Patent US9346798 (2016)


BindingDB Entry DOI: 10.7270/Q24X56N2
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM231468
PNG
(US9346798, 215)
Show SMILES Fc1cc2N(CCOc2cc1S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F
Show InChI InChI=1S/C19H12F4N4O3S2/c20-13-8-15-16(9-17(13)32(28,29)26-18-25-3-6-31-18)30-5-4-27(15)14-2-1-12(19(21,22)23)7-11(14)10-24/h1-3,6-9H,4-5H2,(H,25,26)
PDB

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UniChem
US Patent
n/an/a 183n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy...


US Patent US9346798 (2016)


BindingDB Entry DOI: 10.7270/Q24X56N2
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM231468
PNG
(US9346798, 215)
Show SMILES Fc1cc2N(CCOc2cc1S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F
Show InChI InChI=1S/C19H12F4N4O3S2/c20-13-8-15-16(9-17(13)32(28,29)26-18-25-3-6-31-18)30-5-4-27(15)14-2-1-12(19(21,22)23)7-11(14)10-24/h1-3,6-9H,4-5H2,(H,25,26)
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PC sid
UniChem
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Department of Medicinal Chemistry, Amgen Inc., 360 Binney Street, Cambridge, MA 02142, United States. Electronic address: daniel.la@sagerx.com.

Curated by ChEMBL


Assay Description
Displacement of (P)-1-(30-chloro-2-fluoro-5,50-dimethoxy-[1,10biphenyl]-4-yl)-N-(isoxazol-3-yl)-2-oxo-1,2-dihydroquinoline-6-sulfonamide[50-methoxy-C...


Bioorg Med Chem Lett 27: 3477-3485 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.070
BindingDB Entry DOI: 10.7270/Q2H134H4
More data for this
Ligand-Target Pair
Sodium channel protein type IX alpha subunit


(Rattus norvegicus)
BDBM231468
PNG
(US9346798, 215)
Show SMILES Fc1cc2N(CCOc2cc1S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F
Show InChI InChI=1S/C19H12F4N4O3S2/c20-13-8-15-16(9-17(13)32(28,29)26-18-25-3-6-31-18)30-5-4-27(15)14-2-1-12(19(21,22)23)7-11(14)10-24/h1-3,6-9H,4-5H2,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Department of Medicinal Chemistry, Amgen Inc., 360 Binney Street, Cambridge, MA 02142, United States. Electronic address: daniel.la@sagerx.com.

Curated by ChEMBL


Assay Description
Inhibition of rat NaV1.7 by cell based whole cell voltage clamp method


Bioorg Med Chem Lett 27: 3477-3485 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.070
BindingDB Entry DOI: 10.7270/Q2H134H4
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM231468
PNG
(US9346798, 215)
Show SMILES Fc1cc2N(CCOc2cc1S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F
Show InChI InChI=1S/C19H12F4N4O3S2/c20-13-8-15-16(9-17(13)32(28,29)26-18-25-3-6-31-18)30-5-4-27(15)14-2-1-12(19(21,22)23)7-11(14)10-24/h1-3,6-9H,4-5H2,(H,25,26)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Amgen Inc., 360 Binney Street, Cambridge, MA 02142, United States. Electronic address: daniel.la@sagerx.com.

Curated by ChEMBL


Assay Description
Inhibition of NaV1.8 in rat DRG neurons assessed as reduction in tetrodotoxin-sensitive sodium channel currents at holding potential of -140 mV by ma...


Bioorg Med Chem Lett 27: 3477-3485 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.070
BindingDB Entry DOI: 10.7270/Q2H134H4
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM231468
PNG
(US9346798, 215)
Show SMILES Fc1cc2N(CCOc2cc1S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F
Show InChI InChI=1S/C19H12F4N4O3S2/c20-13-8-15-16(9-17(13)32(28,29)26-18-25-3-6-31-18)30-5-4-27(15)14-2-1-12(19(21,22)23)7-11(14)10-24/h1-3,6-9H,4-5H2,(H,25,26)
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 5.30E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Amgen Inc., 360 Binney Street, Cambridge, MA 02142, United States. Electronic address: daniel.la@sagerx.com.

Curated by ChEMBL


Assay Description
Inhibition of NaV1.8 in C57BL/6 mouse DRG neurons assessed as reduction in tetrodotoxin-sensitive sodium channel currents at holding potential of -14...


Bioorg Med Chem Lett 27: 3477-3485 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.070
BindingDB Entry DOI: 10.7270/Q2H134H4
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM231468
PNG
(US9346798, 215)
Show SMILES Fc1cc2N(CCOc2cc1S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F
Show InChI InChI=1S/C19H12F4N4O3S2/c20-13-8-15-16(9-17(13)32(28,29)26-18-25-3-6-31-18)30-5-4-27(15)14-2-1-12(19(21,22)23)7-11(14)10-24/h1-3,6-9H,4-5H2,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Department of Medicinal Chemistry, Amgen Inc., 360 Binney Street, Cambridge, MA 02142, United States. Electronic address: daniel.la@sagerx.com.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in HEK295 cells at holding potential of -125 mV with test potentials to -10 mV by whole cell voltage clamp metho...


Bioorg Med Chem Lett 27: 3477-3485 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.070
BindingDB Entry DOI: 10.7270/Q2H134H4
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM231468
PNG
(US9346798, 215)
Show SMILES Fc1cc2N(CCOc2cc1S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F
Show InChI InChI=1S/C19H12F4N4O3S2/c20-13-8-15-16(9-17(13)32(28,29)26-18-25-3-6-31-18)30-5-4-27(15)14-2-1-12(19(21,22)23)7-11(14)10-24/h1-3,6-9H,4-5H2,(H,25,26)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Department of Medicinal Chemistry, Amgen Inc., 360 Binney Street, Cambridge, MA 02142, United States. Electronic address: daniel.la@sagerx.com.

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.7 by whole cell voltage clamp method


Bioorg Med Chem Lett 27: 3477-3485 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.070
BindingDB Entry DOI: 10.7270/Q2H134H4
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM231468
PNG
(US9346798, 215)
Show SMILES Fc1cc2N(CCOc2cc1S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F
Show InChI InChI=1S/C19H12F4N4O3S2/c20-13-8-15-16(9-17(13)32(28,29)26-18-25-3-6-31-18)30-5-4-27(15)14-2-1-12(19(21,22)23)7-11(14)10-24/h1-3,6-9H,4-5H2,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Department of Medicinal Chemistry, Amgen Inc., 360 Binney Street, Cambridge, MA 02142, United States. Electronic address: daniel.la@sagerx.com.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells at holding potential of -125 mV with test potentials to -10 mV by whole cell voltage clamp metho...


Bioorg Med Chem Lett 27: 3477-3485 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.070
BindingDB Entry DOI: 10.7270/Q2H134H4
More data for this
Ligand-Target Pair