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SMILES: NC(=O)c1cc(O[C@H]2CCNC2=O)nc(n1)C1=CCC(CC1)Oc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=LBNWDFDPQURJAA-JRZJBTRGSA-N

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 2 hits for monomerid = 186013   
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))
BDBM186013
PNG
(US9163008, 102 | US9656968, Compound 102)
Show SMILES NC(=O)c1cc(O[C@H]2CCNC2=O)nc(n1)C1=CCC(CC1)Oc1ccc(cc1)C(F)(F)F |r,t:18|
Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)13-3-7-15(8-4-13)32-14-5-1-12(2-6-14)20-28-16(19(26)30)11-18(29-20)33-17-9-10-27-21(17)31/h1,3-4,7-8,11,14,17H,2,5-6,9-10H2,(H2,26,30)(H,27,31)/t14?,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 220n/an/an/an/an/an/a



TBA

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 US9656968 (2017)


BindingDB Entry DOI: 10.7270/Q2F76FMS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM186013
PNG
(US9163008, 102 | US9656968, Compound 102)
Show SMILES NC(=O)c1cc(O[C@H]2CCNC2=O)nc(n1)C1=CCC(CC1)Oc1ccc(cc1)C(F)(F)F |r,t:18|
Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)13-3-7-15(8-4-13)32-14-5-1-12(2-6-14)20-28-16(19(26)30)11-18(29-20)33-17-9-10-27-21(17)31/h1,3-4,7-8,11,14,17H,2,5-6,9-10H2,(H2,26,30)(H,27,31)/t14?,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 220n/an/an/an/an/an/a



Purdue Pharma, L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9163008 (2015)


BindingDB Entry DOI: 10.7270/Q2G44P21
More data for this
Ligand-Target Pair