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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 = 'BDBM176546'   
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))
BDBM176546
PNG
(US9120752, 63 | US9765029, 63)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@H](O)CO)C(N)=O
Show InChI InChI=1S/C26H28FN3O5/c1-15(2)11-22(25(28)33)30-26(34)23-13-17(24(32)14-31)12-21(29-23)16-3-7-19(8-4-16)35-20-9-5-18(27)6-10-20/h3-10,12-13,15,22,24,31-32H,11,14H2,1-2H3,(H2,28,33)(H,30,34)/t22-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 814n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10×HBSS th...


US Patent US9765029 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM176546
PNG
(US9120752, 63 | US9765029, 63)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@H](O)CO)C(N)=O
Show InChI InChI=1S/C26H28FN3O5/c1-15(2)11-22(25(28)33)30-26(34)23-13-17(24(32)14-31)12-21(29-23)16-3-7-19(8-4-16)35-20-9-5-18(27)6-10-20/h3-10,12-13,15,22,24,31-32H,11,14H2,1-2H3,(H2,28,33)(H,30,34)/t22-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 814n/an/an/an/an/a37



Purdue Pharma, L.P.

US Patent


Assay Description
Cells were prepared by plating the recombinant HEK293 cells or other host cells expressing either recombinant or non-recombinant, native, Nav1.7 alph...


US Patent US9120752 (2015)


BindingDB Entry DOI: 10.7270/Q2B56HHN
More data for this
Ligand-Target Pair