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BDBM179923 US9133131, 14

SMILES: COC(=O)[C@H](C)NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@H](O)CO

InChI Key: InChIKey=NTWWOUGEXSTHDJ-RNODOKPDSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 179923   
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))
BDBM179923
PNG
(US9133131, 14)
Show SMILES COC(=O)[C@H](C)NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@H](O)CO |r|
Show InChI InChI=1S/C23H22FN3O6/c1-13(23(31)32-2)25-22(30)19-11-18(20(29)12-28)26-21(27-19)14-3-7-16(8-4-14)33-17-9-5-15(24)6-10-17/h3-11,13,20,28-29H,12H2,1-2H3,(H,25,30)/t13-,20+/m0/s1
PDB

KEGG

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.92E+3n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...


US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair