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BDBM176464 US9120752, 7::US9765029, 7

SMILES: Fc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1

InChI Key: InChIKey=ITDDKHFUYDVCOL-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 176464   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM176464
PNG
(US9120752, 7 | US9765029, 7)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C29H23F4N3O5S/c30-21-6-10-23(11-7-21)40-22-8-4-20(5-9-22)26-2-1-3-27(34-26)28(37)35-16-18-36(19-17-35)42(38,39)25-14-12-24(13-15-25)41-29(31,32)33/h1-15H,16-19H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 190n/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))
BDBM176464
PNG
(US9120752, 7 | US9765029, 7)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C29H23F4N3O5S/c30-21-6-10-23(11-7-21)40-22-8-4-20(5-9-22)26-2-1-3-27(34-26)28(37)35-16-18-36(19-17-35)42(38,39)25-14-12-24(13-15-25)41-29(31,32)33/h1-15H,16-19H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 190n/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