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BDBM162469 US9056832, 88

SMILES: C[C@H](NCc1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O

InChI Key: InChIKey=VKYVRPLCWFDNGH-AWEZNQCLSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 162469   
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))
BDBM162469
PNG
(US9056832, 88)
Show SMILES C[C@H](NCc1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C21H20FN3O2/c1-14(21(23)26)24-13-17-3-2-4-20(25-17)15-5-9-18(10-6-15)27-19-11-7-16(22)8-12-19/h2-12,14,24H,13H2,1H3,(H2,23,26)/t14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 230n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...


US Patent US9056832 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZXW
More data for this
Ligand-Target Pair