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7 similar compounds to monomer 176483

Compile data set for download or QSAR
Wt: 602.6
BDBM176526
Wt: 542.5
BDBM176467
Wt: 542.5
BDBM176474
Wt: 561.5
BDBM176475
Wt: 560.5
BDBM176477
Wt: 492.5
BDBM176481
Wt: 569.6
BDBM176482

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 176526,176467,176474,176475,176477,176481,176482   
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))
BDBM176467
PNG
(US9120752, 10 | US9765029, 10)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(=O)N2CCN(CC2)S(=O)(=O)c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C29H23FN4O4S/c30-23-9-13-25(14-10-23)38-24-11-7-22(8-12-24)27-5-2-6-28(32-27)29(35)33-15-17-34(18-16-33)39(36,37)26-4-1-3-21(19-26)20-31/h1-14,19H,15-18H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 430n/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))
BDBM176474
PNG
(US9120752, 17 | US9765029, 17)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C29H23FN4O4S/c30-23-8-12-25(13-9-23)38-24-10-6-22(7-11-24)27-2-1-3-28(32-27)29(35)33-16-18-34(19-17-33)39(36,37)26-14-4-21(20-31)5-15-26/h1-15H,16-19H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 970n/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))
BDBM176475
PNG
(US9120752, 18 | US9765029, 18)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H24FN3O6S/c30-22-9-13-24(14-10-22)39-23-11-7-20(8-12-23)26-5-2-6-27(31-26)28(34)32-15-17-33(18-16-32)40(37,38)25-4-1-3-21(19-25)29(35)36/h1-14,19H,15-18H2,(H,35,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.48E+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))
BDBM176481
PNG
(US9120752, 22)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(=O)NCCNS(=O)(=O)c2cccnc2)cc1
Show InChI InChI=1S/C25H21FN4O4S/c26-19-8-12-21(13-9-19)34-20-10-6-18(7-11-20)23-4-1-5-24(30-23)25(31)28-15-16-29-35(32,33)22-3-2-14-27-17-22/h1-14,17,29H,15-16H2,(H,28,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 310n/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))
BDBM176482
PNG
(US9120752, 23)
Show SMILES CS(=O)(=O)c1cccc(c1)S(=O)(=O)NCCNC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H24FN3O6S2/c1-38(33,34)23-4-2-5-24(18-23)39(35,36)30-17-16-29-27(32)26-7-3-6-25(31-26)19-8-12-21(13-9-19)37-22-14-10-20(28)11-15-22/h2-15,18,30H,16-17H2,1H3,(H,29,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 390n/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))
BDBM176477
PNG
(US9120752, 59 | US9765029, 59)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(F)c(c2)C#N)cc1
Show InChI InChI=1S/C29H22F2N4O4S/c30-22-6-10-24(11-7-22)39-23-8-4-20(5-9-23)27-2-1-3-28(33-27)29(36)34-14-16-35(17-15-34)40(37,38)25-12-13-26(31)21(18-25)19-32/h1-13,18H,14-17H2
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))
BDBM176477
PNG
(US9120752, 59 | US9765029, 59)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(F)c(c2)C#N)cc1
Show InChI InChI=1S/C29H22F2N4O4S/c30-22-6-10-24(11-7-22)39-23-8-4-20(5-9-23)27-2-1-3-28(33-27)29(36)34-14-16-35(17-15-34)40(37,38)25-12-13-26(31)21(18-25)19-32/h1-13,18H,14-17H2
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))
BDBM176467
PNG
(US9120752, 10 | US9765029, 10)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(=O)N2CCN(CC2)S(=O)(=O)c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C29H23FN4O4S/c30-23-9-13-25(14-10-23)38-24-11-7-22(8-12-24)27-5-2-6-28(32-27)29(35)33-15-17-34(18-16-33)39(36,37)26-4-1-3-21(19-26)20-31/h1-14,19H,15-18H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 430n/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))
BDBM176474
PNG
(US9120752, 17 | US9765029, 17)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C29H23FN4O4S/c30-23-8-12-25(13-9-23)38-24-10-6-22(7-11-24)27-2-1-3-28(32-27)29(35)33-16-18-34(19-17-33)39(36,37)26-14-4-21(20-31)5-15-26/h1-15H,16-19H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 970n/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))
BDBM176475
PNG
(US9120752, 18 | US9765029, 18)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H24FN3O6S/c30-22-9-13-24(14-10-22)39-23-11-7-20(8-12-23)26-5-2-6-27(31-26)28(34)32-15-17-33(18-16-32)40(37,38)25-4-1-3-21(19-25)29(35)36/h1-14,19H,15-18H2,(H,35,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.48E+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))
BDBM176526
PNG
(US9120752, 58 | US9765029, 58)
Show SMILES OC[C@@H](O)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C31H27FN4O6S/c32-24-6-10-26(11-7-24)42-25-8-4-22(5-9-25)28-17-23(30(38)20-37)18-29(34-28)31(39)35-12-14-36(15-13-35)43(40,41)27-3-1-2-21(16-27)19-33/h1-11,16-18,30,37-38H,12-15,20H2/t30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.31E+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))
BDBM176526
PNG
(US9120752, 58 | US9765029, 58)
Show SMILES OC[C@@H](O)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C31H27FN4O6S/c32-24-6-10-26(11-7-24)42-25-8-4-22(5-9-25)28-17-23(30(38)20-37)18-29(34-28)31(39)35-12-14-36(15-13-35)43(40,41)27-3-1-2-21(16-27)19-33/h1-11,16-18,30,37-38H,12-15,20H2/t30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.31E+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