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BDBM179927 US9133131, 18

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

InChI Key: InChIKey=WQNXIIHUWSFIHN-KRWDZBQOSA-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 = 179927   
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))
BDBM179927
PNG
(US9133131, 18)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)[C@@H](O)CO |r|
Show InChI InChI=1S/C20H16F3N3O4/c21-20(22,23)12-3-7-14(8-4-12)30-13-5-1-11(2-6-13)19-25-15(17(28)10-27)9-16(26-19)18(24)29/h1-9,17,27-28H,10H2,(H2,24,29)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 135n/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