BindingDB logo
myBDB logout

null

SMILES: NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(Cl)cc2F)cc1)[C@@H](O)CO

InChI Key: InChIKey=SBCFVCFBJHDZBA-INIZCTEOSA-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 = 179918   
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))
BDBM179918
PNG
(US9133131, 9)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(Cl)cc2F)cc1)[C@@H](O)CO |r|
Show InChI InChI=1S/C19H15ClFN3O4/c20-11-3-6-17(13(21)7-11)28-12-4-1-10(2-5-12)19-23-14(16(26)9-25)8-15(24-19)18(22)27/h1-8,16,25-26H,9H2,(H2,22,27)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
27n/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))
BDBM179918
PNG
(US9133131, 9)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(Cl)cc2F)cc1)[C@@H](O)CO |r|
Show InChI InChI=1S/C19H15ClFN3O4/c20-11-3-6-17(13(21)7-11)28-12-4-1-10(2-5-12)19-23-14(16(26)9-25)8-15(24-19)18(22)27/h1-8,16,25-26H,9H2,(H2,22,27)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 67n/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