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BDBM162423 US9056832, 42

SMILES: OC[C@@H](O)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NCCN1CCCCC1

InChI Key: InChIKey=DKCDUQHFTUYCGK-AREMUKBSSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 162423   
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))
BDBM162423
PNG
(US9056832, 42)
Show SMILES OC[C@@H](O)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C27H30FN3O4/c28-21-6-10-23(11-7-21)35-22-8-4-19(5-9-22)24-16-20(26(33)18-32)17-25(30-24)27(34)29-12-15-31-13-2-1-3-14-31/h4-11,16-17,26,32-33H,1-3,12-15,18H2,(H,29,34)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.25E+3n/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