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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 371614   
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))
BDBM371614
PNG
((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2-c2ccc(F)nc2)C(F)(F)F)nc1
Show InChI InChI=1S/C25H17F5N4O3S/c26-16-12-32-24(33-13-16)34-38(35,36)17-3-5-20-19(7-8-37-22(20)10-17)18-4-2-15(25(28,29)30)9-21(18)14-1-6-23(27)31-11-14/h1-6,9-13,19H,7-8H2,(H,32,33,34)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



University of California at San Francisco



Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37° C./5% CO2 f...


J Med Chem 51: 545-52 (2008)


BindingDB Entry DOI: 10.7270/Q2NG4SZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM371614
PNG
((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2-c2ccc(F)nc2)C(F)(F)F)nc1
Show InChI InChI=1S/C25H17F5N4O3S/c26-16-12-32-24(33-13-16)34-38(35,36)17-3-5-20-19(7-8-37-22(20)10-17)18-4-2-15(25(28,29)30)9-21(18)14-1-6-23(27)31-11-14/h1-6,9-13,19H,7-8H2,(H,32,33,34)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...


J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM371614
PNG
((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2-c2ccc(F)nc2)C(F)(F)F)nc1
Show InChI InChI=1S/C25H17F5N4O3S/c26-16-12-32-24(33-13-16)34-38(35,36)17-3-5-20-19(7-8-37-22(20)10-17)18-4-2-15(25(28,29)30)9-21(18)14-1-6-23(27)31-11-14/h1-6,9-13,19H,7-8H2,(H,32,33,34)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



University of California at San Francisco



Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37° C./5% CO2 f...


J Med Chem 51: 545-52 (2008)


BindingDB Entry DOI: 10.7270/Q2NG4SZX
More data for this
Ligand-Target Pair