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SMILES: [H][C@@]12CN(C[C@]1([H])C(=O)N(C2)c1cccc2n(ncc12)-c1ccccc1F)C(=O)CC(C)(C)O

InChI Key: InChIKey=RLXGMHWKXRLKHB-RDJZCZTQSA-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 6 hits for monomerid = 50500958   
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 3 subunit alpha


(Homo sapiens (Human))
BDBM50500958
PNG
(CHEMBL3798320)
Show SMILES [H][C@@]12CN(C[C@]1([H])C(=O)N(C2)c1cccc2n(ncc12)-c1ccccc1F)C(=O)CC(C)(C)O |r|
Show InChI InChI=1S/C24H25FN4O3/c1-24(2,32)10-22(30)27-12-15-13-28(23(31)17(15)14-27)19-8-5-9-20-16(19)11-26-29(20)21-7-4-3-6-18(21)25/h3-9,11,15,17,32H,10,12-14H2,1-2H3/t15-,17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.3 expressed in HEK293 cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mi...


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50500958
PNG
(CHEMBL3798320)
Show SMILES [H][C@@]12CN(C[C@]1([H])C(=O)N(C2)c1cccc2n(ncc12)-c1ccccc1F)C(=O)CC(C)(C)O |r|
Show InChI InChI=1S/C24H25FN4O3/c1-24(2,32)10-22(30)27-12-15-13-28(23(31)17(15)14-27)19-8-5-9-20-16(19)11-26-29(20)21-7-4-3-6-18(21)25/h3-9,11,15,17,32H,10,12-14H2,1-2H3/t15-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by voltage-patch clamp method


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM50500958
PNG
(CHEMBL3798320)
Show SMILES [H][C@@]12CN(C[C@]1([H])C(=O)N(C2)c1cccc2n(ncc12)-c1ccccc1F)C(=O)CC(C)(C)O |r|
Show InChI InChI=1S/C24H25FN4O3/c1-24(2,32)10-22(30)27-12-15-13-28(23(31)17(15)14-27)19-8-5-9-20-16(19)11-26-29(20)21-7-4-3-6-18(21)25/h3-9,11,15,17,32H,10,12-14H2,1-2H3/t15-,17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.2 expressed in HEK293 cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mi...


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50500958
PNG
(CHEMBL3798320)
Show SMILES [H][C@@]12CN(C[C@]1([H])C(=O)N(C2)c1cccc2n(ncc12)-c1ccccc1F)C(=O)CC(C)(C)O |r|
Show InChI InChI=1S/C24H25FN4O3/c1-24(2,32)10-22(30)27-12-15-13-28(23(31)17(15)14-27)19-8-5-9-20-16(19)11-26-29(20)21-7-4-3-6-18(21)25/h3-9,11,15,17,32H,10,12-14H2,1-2H3/t15-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell-patch clamp method


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50500958
PNG
(CHEMBL3798320)
Show SMILES [H][C@@]12CN(C[C@]1([H])C(=O)N(C2)c1cccc2n(ncc12)-c1ccccc1F)C(=O)CC(C)(C)O |r|
Show InChI InChI=1S/C24H25FN4O3/c1-24(2,32)10-22(30)27-12-15-13-28(23(31)17(15)14-27)19-8-5-9-20-16(19)11-26-29(20)21-7-4-3-6-18(21)25/h3-9,11,15,17,32H,10,12-14H2,1-2H3/t15-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM50500958
PNG
(CHEMBL3798320)
Show SMILES [H][C@@]12CN(C[C@]1([H])C(=O)N(C2)c1cccc2n(ncc12)-c1ccccc1F)C(=O)CC(C)(C)O |r|
Show InChI InChI=1S/C24H25FN4O3/c1-24(2,32)10-22(30)27-12-15-13-28(23(31)17(15)14-27)19-8-5-9-20-16(19)11-26-29(20)21-7-4-3-6-18(21)25/h3-9,11,15,17,32H,10,12-14H2,1-2H3/t15-,17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.6 expressed in HEK293 cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mi...


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair