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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM50237504'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50237504
PNG
(CHEMBL4067455 | US10836758, Example 44)
Show SMILES Fc1cc(c(F)cc1OCCC1(CCNCC1)c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H21ClF2N4O3S2/c22-15-3-1-14(2-4-15)21(5-8-25-9-6-21)7-10-31-18-11-17(24)19(12-16(18)23)33(29,30)28-20-26-13-27-32-20/h1-4,11-13,25H,5-10H2,(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...


J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
BindingDB Entry DOI: 10.7270/Q2057J69
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50237504
PNG
(CHEMBL4067455 | US10836758, Example 44)
Show SMILES Fc1cc(c(F)cc1OCCC1(CCNCC1)c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H21ClF2N4O3S2/c22-15-3-1-14(2-4-15)21(5-8-25-9-6-21)7-10-31-18-11-17(24)19(12-16(18)23)33(29,30)28-20-26-13-27-32-20/h1-4,11-13,25H,5-10H2,(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

US Patent
n/an/a 124n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NTB
More data for this
Ligand-Target Pair