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4 similar compounds to monomer 176537

Compile data set for download or QSAR
Wt: 481.5
BDBM176535
Wt: 482.4
BDBM176536
Wt: 481.5
BDBM176546
Wt: 422.4
BDBM176499

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 176535,176536,176546,176499   
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))
BDBM176499
PNG
(US9120752, 39 | US9765029, 39)
Show SMILES NC(=O)C[C@H](NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C22H19FN4O4/c23-14-6-10-16(11-7-14)31-15-8-4-13(5-9-15)17-2-1-3-18(26-17)22(30)27-19(21(25)29)12-20(24)28/h1-11,19H,12H2,(H2,24,28)(H2,25,29)(H,27,30)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 750n/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
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM176536
PNG
(US9120752, 64 | US9765029, 64)
Show SMILES NC(=O)C[C@H](NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@H](O)CO)C(N)=O
Show InChI InChI=1S/C24H23FN4O6/c25-15-3-7-17(8-4-15)35-16-5-1-13(2-6-16)18-9-14(21(31)12-30)10-20(28-18)24(34)29-19(23(27)33)11-22(26)32/h1-10,19,21,30-31H,11-12H2,(H2,26,32)(H2,27,33)(H,29,34)/t19-,21+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>2.00E+4n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM176535
PNG
(US9120752, 65 | US9765029, 65)
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 1.56E+3n/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))
BDBM176499
PNG
(US9120752, 39 | US9765029, 39)
Show SMILES NC(=O)C[C@H](NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C22H19FN4O4/c23-14-6-10-16(11-7-14)31-15-8-4-13(5-9-15)17-2-1-3-18(26-17)22(30)27-19(21(25)29)12-20(24)28/h1-11,19H,12H2,(H2,24,28)(H2,25,29)(H,27,30)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 750n/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/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))
BDBM176536
PNG
(US9120752, 64 | US9765029, 64)
Show SMILES NC(=O)C[C@H](NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@H](O)CO)C(N)=O
Show InChI InChI=1S/C24H23FN4O6/c25-15-3-7-17(8-4-15)35-16-5-1-13(2-6-16)18-9-14(21(31)12-30)10-20(28-18)24(34)29-19(23(27)33)11-22(26)32/h1-10,19,21,30-31H,11-12H2,(H2,26,32)(H2,27,33)(H,29,34)/t19-,21+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>2.00E+4n/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))
BDBM176535
PNG
(US9120752, 65 | US9765029, 65)
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 1.56E+3n/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