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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 7 subunit alpha' and Ligand = 'BDBM145369'   
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 7 subunit alpha


(Homo sapiens (Human))
BDBM145369
PNG
(US8952169, 148 | US9771376, Example 148)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H30FNO4S/c25-21-9-22(30-13-24-10-14-5-15(11-24)7-16(6-14)12-24)19(17-1-2-17)8-20(21)23(27)26-31(28,29)18-3-4-18/h8-9,14-18H,1-7,10-13H2,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM145369
PNG
(US8952169, 148 | US9771376, Example 148)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H30FNO4S/c25-21-9-22(30-13-24-10-14-5-15(11-24)7-16(6-14)12-24)19(17-1-2-17)8-20(21)23(27)26-31(28,29)18-3-4-18/h8-9,14-18H,1-7,10-13H2,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 1 hr in presence of veratridine by sodium influx assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair