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SMILES: COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F

InChI Key:

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 17 hits for monomerid = 342904   
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 9 subunit alpha


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 13.5n/an/an/an/an/an/a



Amgen Inc.

US Patent




US Patent US9776995 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
More data for this
Ligand-Target Pair
Sodium channel protein type IX alpha subunit


(Rattus norvegicus)
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

US Patent




US Patent US9776995 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
More data for this
Ligand-Target Pair