BindingDB logo
myBDB logout

BDBM179911 US9133131, 2

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

InChI Key: InChIKey=XYLBRBNTXPIXCN-KRWDZBQOSA-N

Data: 1 KI  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 2 hits for monomerid = 179911   
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))
BDBM179911
PNG
(US9133131, 2)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@@H](O)CO |r|
Show InChI InChI=1S/C19H16FN3O4/c20-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)19-22-15(17(25)10-24)9-16(23-19)18(21)26/h1-9,17,24-25H,10H2,(H2,21,26)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
139n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM179911
PNG
(US9133131, 2)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@@H](O)CO |r|
Show InChI InChI=1S/C19H16FN3O4/c20-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)19-22-15(17(25)10-24)9-16(23-19)18(21)26/h1-9,17,24-25H,10H2,(H2,21,26)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 344n/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