Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM343163' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM343163
(4-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...)Show SMILES COc1cc(c(Cl)cc1-c1c2ccc(cc2cn(C)c1=O)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 |(-.11,-.1,;1.22,-.87,;2.55,-.1,;2.55,1.44,;3.89,2.21,;5.22,1.44,;6.55,2.21,;5.22,-.1,;3.89,-.87,;3.89,-2.41,;2.55,-3.18,;1.22,-2.41,;-.11,-3.18,;-.11,-4.72,;1.22,-5.49,;2.55,-4.72,;3.89,-5.49,;5.22,-4.72,;6.55,-5.49,;5.22,-3.18,;6.55,-2.41,;-1.45,-5.49,;-2.22,-4.16,;-.68,-6.83,;-2.78,-6.26,;-4.12,-5.49,;-5.52,-6.12,;-6.55,-4.98,;-5.78,-3.64,;-4.28,-3.96,;3.89,3.75,;5.22,4.52,;5.22,6.06,;3.89,6.83,;2.55,6.06,;1.22,6.83,;2.55,4.52,)| Show InChI InChI=1S/C26H19ClFN3O5S/c1-31-14-16-11-18(37(33,34)30-24-8-9-36-29-24)6-7-19(16)25(26(31)32)21-12-22(27)20(13-23(21)35-2)15-4-3-5-17(28)10-15/h3-14H,1-2H3,(H,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 3 to 5 mins at -125 mV holding potential by electrophysiology assay |
J Med Chem 60: 5969-5989 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01851 BindingDB Entry DOI: 10.7270/Q2RJ4MS7 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM343163
(4-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...)Show SMILES COc1cc(c(Cl)cc1-c1c2ccc(cc2cn(C)c1=O)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 |(-.11,-.1,;1.22,-.87,;2.55,-.1,;2.55,1.44,;3.89,2.21,;5.22,1.44,;6.55,2.21,;5.22,-.1,;3.89,-.87,;3.89,-2.41,;2.55,-3.18,;1.22,-2.41,;-.11,-3.18,;-.11,-4.72,;1.22,-5.49,;2.55,-4.72,;3.89,-5.49,;5.22,-4.72,;6.55,-5.49,;5.22,-3.18,;6.55,-2.41,;-1.45,-5.49,;-2.22,-4.16,;-.68,-6.83,;-2.78,-6.26,;-4.12,-5.49,;-5.52,-6.12,;-6.55,-4.98,;-5.78,-3.64,;-4.28,-3.96,;3.89,3.75,;5.22,4.52,;5.22,6.06,;3.89,6.83,;2.55,6.06,;1.22,6.83,;2.55,4.52,)| Show InChI InChI=1S/C26H19ClFN3O5S/c1-31-14-16-11-18(37(33,34)30-24-8-9-36-29-24)6-7-19(16)25(26(31)32)21-12-22(27)20(13-23(21)35-2)15-4-3-5-17(28)10-15/h3-14H,1-2H3,(H,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
US Patent
| Assay Description HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy... |
US Patent US9776995 (2017)
BindingDB Entry DOI: 10.7270/Q2Q81G6R |
More data for this Ligand-Target Pair | |