BindingDB logo
myBDB logout

BDBM196438 US10202344, Compound 35::US9212139, 35

SMILES: NC(Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12)C(N)=O

InChI Key: InChIKey=LWHOVZKFRJORMC-UHFFFAOYNA-N

Data: 2 KI  2 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 4 hits for monomerid = 196438   
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))
BDBM196438
PNG
(US10202344, Compound 35 | US9212139, 35)
Show SMILES NC(Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12)C(N)=O
Show InChI InChI=1/C23H21N3O2/c24-21(23(25)27)14-16-15-26(22-9-5-4-8-20(16)22)17-10-12-19(13-11-17)28-18-6-2-1-3-7-18/h1-13,15,21H,14,24H2,(H2,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
40n/an/an/an/an/an/a7.4n/a



Purdue Pharma LP

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...


US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM196438
PNG
(US10202344, Compound 35 | US9212139, 35)
Show SMILES NC(Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12)C(N)=O
Show InChI InChI=1/C23H21N3O2/c24-21(23(25)27)14-16-15-26(22-9-5-4-8-20(16)22)17-10-12-19(13-11-17)28-18-6-2-1-3-7-18/h1-13,15,21H,14,24H2,(H2,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
40n/an/an/an/an/an/an/an/a



Purdue Pharma LP

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 US10202344 (2019)


BindingDB Entry DOI: 10.7270/Q2X350KJ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM196438
PNG
(US10202344, Compound 35 | US9212139, 35)
Show SMILES NC(Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12)C(N)=O
Show InChI InChI=1/C23H21N3O2/c24-21(23(25)27)14-16-15-26(22-9-5-4-8-20(16)22)17-10-12-19(13-11-17)28-18-6-2-1-3-7-18/h1-13,15,21H,14,24H2,(H2,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 278n/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...


US Patent US10202344 (2019)


BindingDB Entry DOI: 10.7270/Q2X350KJ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM196438
PNG
(US10202344, Compound 35 | US9212139, 35)
Show SMILES NC(Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12)C(N)=O
Show InChI InChI=1/C23H21N3O2/c24-21(23(25)27)14-16-15-26(22-9-5-4-8-20(16)22)17-10-12-19(13-11-17)28-18-6-2-1-3-7-18/h1-13,15,21H,14,24H2,(H2,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 278n/an/an/an/a7.3n/a



Purdue Pharma LP

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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair