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BDBM190559 US9181185, 14

SMILES: CCOC(=O)[C@H](O)[C@H](O)c1cccc(n1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1

InChI Key: InChIKey=CFFNMYMVTXENOW-FGZHOGPDSA-N

Data: 1 IC50

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 1 hit for monomerid = 190559   
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))
BDBM190559
PNG
(US9181185, 14)
Show SMILES CCOC(=O)[C@H](O)[C@H](O)c1cccc(n1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1
Show InChI InChI=1S/C24H19F3N2O5/c1-2-33-23(32)22(31)21(30)20-5-3-4-19(29-20)14-6-8-16(9-7-14)34-17-10-11-18(24(25,26)27)15(12-17)13-28/h3-12,21-22,30-31H,2H2,1H3/t21-,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 246n/an/an/an/an/a37



Purdue Pharma L.P.

US Patent


Assay Description
FLIPRŽ or FLIPRTETRAŽ Sodium Dye Assay with KCl and Test Article Pre-Incubation: Cells were prepared by plating the recombinant HEK293 cells or other...


US Patent US9181185 (2015)


BindingDB Entry DOI: 10.7270/Q2PC315D
More data for this
Ligand-Target Pair