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5 similar compounds to monomer 176546

Compile data set for download or QSAR
Wt: 479.5
BDBM162423
Wt: 481.5
BDBM176535
Wt: 482.4
BDBM176536
Wt: 482.4
BDBM176537
Wt: 421.4
BDBM176504

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 162423,176535,176536,176537,176504   
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))
BDBM162423
PNG
(US9056832, 42 | US9611222, Example 42)
Show SMILES OC[C@@H](O)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C27H30FN3O4/c28-21-6-10-23(11-7-21)35-22-8-4-19(5-9-22)24-16-20(26(33)18-32)17-25(30-24)27(34)29-12-15-31-13-2-1-3-14-31/h4-11,16-17,26,32-33H,1-3,12-15,18H2,(H,29,34)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.25E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...


US Patent US9056832 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZXW
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM176504
PNG
(US9120752, 44 | US9765029, 44)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C24H24FN3O3/c1-15(2)14-22(23(26)29)28-24(30)21-5-3-4-20(27-21)16-6-10-18(11-7-16)31-19-12-8-17(25)9-13-19/h3-13,15,22H,14H2,1-2H3,(H2,26,29)(H,28,30)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 340n/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/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))
BDBM162423
PNG
(US9056832, 42 | US9611222, Example 42)
Show SMILES OC[C@@H](O)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C27H30FN3O4/c28-21-6-10-23(11-7-21)35-22-8-4-19(5-9-22)24-16-20(26(33)18-32)17-25(30-24)27(34)29-12-15-31-13-2-1-3-14-31/h4-11,16-17,26,32-33H,1-3,12-15,18H2,(H,29,34)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.25E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM176504
PNG
(US9120752, 44 | US9765029, 44)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C24H24FN3O3/c1-15(2)14-22(23(26)29)28-24(30)21-5-3-4-20(27-21)16-6-10-18(11-7-16)31-19-12-8-17(25)9-13-19/h3-13,15,22H,14H2,1-2H3,(H2,26,29)(H,28,30)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 340n/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))
BDBM176537
PNG
(US9120752, 66)
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