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SMILES: OC[C@H](NC(=O)c1ccccn1)C(=O)Nc1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1

InChI Key: InChIKey=WVFJNTNBBZOWRT-QHCPKHFHSA-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 = 50393024   
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))
BDBM50393024
PNG
(CHEMBL2152689 | US9656959, Example 54)
Show SMILES OC[C@H](NC(=O)c1ccccn1)C(=O)Nc1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C26H21FN4O4/c27-18-9-13-20(14-10-18)35-19-11-7-17(8-12-19)21-5-3-6-24(29-21)31-26(34)23(16-32)30-25(33)22-4-1-2-15-28-22/h1-15,23,32H,16H2,(H,30,33)(H,29,31,34)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
195n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Blockade of Nav1.7 by electrophysiological patch clamp assay


ACS Med Chem Lett 3: 695-696 (2012)


Article DOI: 10.1021/ml300194f
BindingDB Entry DOI: 10.7270/Q2J967G4
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50393024
PNG
(CHEMBL2152689 | US9656959, Example 54)
Show SMILES OC[C@H](NC(=O)c1ccccn1)C(=O)Nc1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C26H21FN4O4/c27-18-9-13-20(14-10-18)35-19-11-7-17(8-12-19)21-5-3-6-24(29-21)31-26(34)23(16-32)30-25(33)22-4-1-2-15-28-22/h1-15,23,32H,16H2,(H,30,33)(H,29,31,34)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 70n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9656959 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00FC
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50393024
PNG
(CHEMBL2152689 | US9656959, Example 54)
Show SMILES OC[C@H](NC(=O)c1ccccn1)C(=O)Nc1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C26H21FN4O4/c27-18-9-13-20(14-10-18)35-19-11-7-17(8-12-19)21-5-3-6-24(29-21)31-26(34)23(16-32)30-25(33)22-4-1-2-15-28-22/h1-15,23,32H,16H2,(H,30,33)(H,29,31,34)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Blockade of Nav1.7 by FLIPR TETRA sodium dye assay in presence of KCl salt


ACS Med Chem Lett 3: 695-696 (2012)


Article DOI: 10.1021/ml300194f
BindingDB Entry DOI: 10.7270/Q2J967G4
More data for this
Ligand-Target Pair