BindingDB logo
myBDB logout

null

SMILES: C[C@H](NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)C(N)=O

InChI Key: InChIKey=VQSOGOHFWKDUMT-LBPRGKRZSA-N

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 2 hits for monomerid = 176527   
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))
BDBM176527
PNG
(US9120752, 61 | US9765029, 61)
Show SMILES C[C@H](NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)C(N)=O |r|
Show InChI InChI=1S/C21H17F3N4O3/c1-12(19(25)29)27-20(30)17-4-2-3-16(28-17)13-5-8-15(9-6-13)31-18-10-7-14(11-26-18)21(22,23)24/h2-12H,1H3,(H2,25,29)(H,27,30)/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.34E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10×HBSS th...


US Patent US9765029 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CKS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM176527
PNG
(US9120752, 61 | US9765029, 61)
Show SMILES C[C@H](NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)C(N)=O |r|
Show InChI InChI=1S/C21H17F3N4O3/c1-12(19(25)29)27-20(30)17-4-2-3-16(28-17)13-5-8-15(9-6-13)31-18-10-7-14(11-26-18)21(22,23)24/h2-12H,1H3,(H2,25,29)(H,27,30)/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.34E+3n/an/an/an/an/a37



Purdue Pharma, L.P.

US Patent


Assay Description
Cells were prepared by plating the recombinant HEK293 cells or other host cells expressing either recombinant or non-recombinant, native, Nav1.7 alph...


US Patent US9120752 (2015)


BindingDB Entry DOI: 10.7270/Q2B56HHN
More data for this
Ligand-Target Pair