BindingDB logo
myBDB logout

Patent code US10202344

Compile Data Set for Download or QSAR
Found 88 hits of Enzyme Inhibition Constant Data   
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))
BDBM196438
PNG
(US10202344, Compound 35 | US9212139, 35)
Show SMILES NC(Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12)C(N)=O
Show InChI InChI=1S/C23H21N3O2/c24-21(23(25)27)14-16-15-26(22-9-5-4-8-20(16)22)17-10-12-19(13-11-17)28-18-6-2-1-3-7-18/h1-13,15,21H,14,24H2,(H2,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
40n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196458
PNG
(US10202344, Compound 57 | US9212139, 57)
Show SMILES N[C@H](CO)Cc1cn(-c2ccc(Oc3cccc(c3)C#N)cc2)c2ccccc12
Show InChI InChI=1S/C24H21N3O2/c25-14-17-4-3-5-22(12-17)29-21-10-8-20(9-11-21)27-15-18(13-19(26)16-28)23-6-1-2-7-24(23)27/h1-12,15,19,28H,13,16,26H2/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
50n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196457
PNG
(US10202344, Compound 54 | US9212139, 54)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C25H19F3N2O3/c26-25(27,28)23-10-9-21(12-16(23)13-29)33-20-7-5-18(6-8-20)30-14-17(11-19(32)15-31)22-3-1-2-4-24(22)30/h1-10,12,14,19,31-32H,11,15H2/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
70n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196450
PNG
(US10202344, Compound 47 | US9212139, 47)
Show SMILES N[C@H](CO)Cc1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C25H20F3N3O2/c26-25(27,28)23-10-9-21(12-16(23)13-29)33-20-7-5-19(6-8-20)31-14-17(11-18(30)15-32)22-3-1-2-4-24(22)31/h1-10,12,14,18,32H,11,15,30H2/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
160n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196488
PNG
(US10202344, Compound 175 | US9212139, 175)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(cc3)C#N)cc2)c2cccnc12
Show InChI InChI=1S/C23H19N3O3/c24-13-16-3-7-20(8-4-16)29-21-9-5-18(6-10-21)26-14-17(12-19(28)15-27)23-22(26)2-1-11-25-23/h1-11,14,19,27-28H,12,15H2/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
170n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196484
PNG
(US10202344, Compound 155 | US9212139, 155)
Show SMILES NC(=O)c1nn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)12-5-10-17(25-11-12)29-14-8-6-13(7-9-14)27-16-4-2-1-3-15(16)18(26-27)19(24)28/h1-11H,(H2,24,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
250n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196441
PNG
(US10202344, Compound 34 | US9212139, 34)
Show SMILES NC(CO)Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C23H22N2O2/c24-18(16-26)14-17-15-25(23-9-5-4-8-22(17)23)19-10-12-21(13-11-19)27-20-6-2-1-3-7-20/h1-13,15,18,26H,14,16,24H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
260n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196491
PNG
(US10202344, Compound 179 | US9212139, 179)
Show SMILES CCN(CC)CCn1cc(C(O)C(N)=O)c2cc(ccc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H30FN3O3/c1-3-31(4-2)15-16-32-18-25(27(33)28(30)34)24-17-20(7-14-26(24)32)19-5-10-22(11-6-19)35-23-12-8-21(29)9-13-23/h5-14,17-18,27,33H,3-4,15-16H2,1-2H3,(H2,30,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
270n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196451
PNG
(US10202344, Compound 44 | US9212139, 44)
Show SMILES N[C@@H](CO)Cc1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C25H20F3N3O2/c26-25(27,28)23-10-9-21(12-16(23)13-29)33-20-7-5-19(6-8-20)31-14-17(11-18(30)15-32)22-3-1-2-4-24(22)31/h1-10,12,14,18,32H,11,15,30H2/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
290n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196476
PNG
(US10202344, Compound 122 | US9212139, 122)
Show SMILES NC(=O)c1cccc2n(cc(C[C@H](O)CO)c12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H21FN2O4/c25-16-4-8-19(9-5-16)31-20-10-6-17(7-11-20)27-13-15(12-18(29)14-28)23-21(24(26)30)2-1-3-22(23)27/h1-11,13,18,28-29H,12,14H2,(H2,26,30)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
300n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196439
PNG
(US10202344, Compound 10 | US9212139, 10)
Show SMILES NC(CO)Cc1c[nH]c2ccc(cc12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H22N2O2/c24-19(15-26)12-18-14-25-23-11-8-17(13-22(18)23)16-6-9-21(10-7-16)27-20-4-2-1-3-5-20/h1-11,13-14,19,25-26H,12,15,24H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
360n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196460
PNG
(US10202344, Compound 60 | US9212139, 60)
Show SMILES NC(=O)C(O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C24H16F3N3O3/c25-24(26,27)20-10-9-17(11-14(20)12-28)33-16-7-5-15(6-8-16)30-13-19(22(31)23(29)32)18-3-1-2-4-21(18)30/h1-11,13,22,31H,(H2,29,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
400n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196486
PNG
(US10202344, Compound 166 | US9212139, 166)
Show SMILES OC[C@H](O)c1nn(-c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)c2cnccc12
Show InChI InChI=1S/C21H16F3N3O3/c22-21(23,24)13-1-5-15(6-2-13)30-16-7-3-14(4-8-16)27-18-11-25-10-9-17(18)20(26-27)19(29)12-28/h1-11,19,28-29H,12H2/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
640n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196442
PNG
(US10202344, Compound 8 | US9212139, 8)
Show SMILES NC(Cc1c[nH]c2ccc(cc12)-c1ccc(Oc2ccccc2)cc1)C(N)=O
Show InChI InChI=1S/C23H21N3O2/c24-21(23(25)27)13-17-14-26-22-11-8-16(12-20(17)22)15-6-9-19(10-7-15)28-18-4-2-1-3-5-18/h1-12,14,21,26H,13,24H2,(H2,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
670n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196436
PNG
(US10202344, Compound 22 | US9212139, 22)
Show SMILES NC(CO)Cc1c[nH]c2c(cccc12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H22N2O2/c24-18(15-26)13-17-14-25-23-21(7-4-8-22(17)23)16-9-11-20(12-10-16)27-19-5-2-1-3-6-19/h1-12,14,18,25-26H,13,15,24H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
830n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196464
PNG
(US10202344, Compound 74 | US9212139, 74)
Show SMILES OC[C@@H](O)Cc1cn(C[C@H](O)CO)c2ccc(cc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H26FNO5/c27-20-4-8-24(9-5-20)33-23-6-1-17(2-7-23)18-3-10-26-25(12-18)19(11-21(31)15-29)13-28(26)14-22(32)16-30/h1-10,12-13,21-22,29-32H,11,14-16H2/t21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
920n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196485
PNG
(US10202344, Compound 159 | US9212139, 159)
Show SMILES OCC(O)CNC(=O)c1nn(-c2ccc(Oc3ccc(cc3)C#N)cc2)c2ccccc12
Show InChI InChI=1S/C24H20N4O4/c25-13-16-5-9-19(10-6-16)32-20-11-7-17(8-12-20)28-22-4-2-1-3-21(22)23(27-28)24(31)26-14-18(30)15-29/h1-12,18,29-30H,14-15H2,(H,26,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
930n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196454
PNG
(US10202344, Compound 48 | US9212139, 48)
Show SMILES CN(C)CCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccc(C[C@H](N)CO)cc12
Show InChI InChI=1S/C27H31N3O2/c1-29(2)15-14-21-18-30(27-13-8-20(17-26(21)27)16-22(28)19-31)23-9-11-25(12-10-23)32-24-6-4-3-5-7-24/h3-13,17-18,22,31H,14-16,19,28H2,1-2H3/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.31E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196453
PNG
(US10202344, Compound 45 | US9212139, 45)
Show SMILES CN(C)CCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccc(C[C@H]3COC(=O)N3)cc12
Show InChI InChI=1S/C28H29N3O3/c1-30(2)15-14-21-18-31(23-9-11-25(12-10-23)34-24-6-4-3-5-7-24)27-13-8-20(17-26(21)27)16-22-19-33-28(32)29-22/h3-13,17-18,22H,14-16,19H2,1-2H3,(H,29,32)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.31E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196461
PNG
(US10202344, Compound 65 | US9212139, 65)
Show SMILES COC(=O)c1ccc2c(cn(-c3ccc(Oc4ccc(c(c4)C#N)C(F)(F)F)cc3)c2c1)C(O)C(N)=O
Show InChI InChI=1S/C26H18F3N3O5/c1-36-25(35)14-2-8-19-20(23(33)24(31)34)13-32(22(19)11-14)16-3-5-17(6-4-16)37-18-7-9-21(26(27,28)29)15(10-18)12-30/h2-11,13,23,33H,1H3,(H2,31,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.91E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196463
PNG
(US10202344, Compound 69 | US9212139, 69)
Show SMILES OC[C@@H](O)CNC(=O)C(O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C27H22F3N3O5/c28-27(29,30)23-10-9-20(11-16(23)12-31)38-19-7-5-17(6-8-19)33-14-22(21-3-1-2-4-24(21)33)25(36)26(37)32-13-18(35)15-34/h1-11,14,18,25,34-36H,13,15H2,(H,32,37)/t18-,25?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.67E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196436
PNG
(US10202344, Compound 22 | US9212139, 22)
Show SMILES NC(CO)Cc1c[nH]c2c(cccc12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H22N2O2/c24-18(15-26)13-17-14-25-23-21(7-4-8-22(17)23)16-9-11-20(12-10-16)27-19-5-2-1-3-6-19/h1-12,14,18,25-26H,13,15,24H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 151n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196479
PNG
(US10202344, Compound 144 | US9212139, 144)
Show SMILES OCCNC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C22H19N3O3/c26-15-14-23-22(27)21-19-8-4-5-9-20(19)25(24-21)16-10-12-18(13-11-16)28-17-6-2-1-3-7-17/h1-13,26H,14-15H2,(H,23,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 160n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196457
PNG
(US10202344, Compound 54 | US9212139, 54)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C25H19F3N2O3/c26-25(27,28)23-10-9-21(12-16(23)13-29)33-20-7-5-18(6-8-20)30-14-17(11-19(32)15-31)22-3-1-2-4-24(22)30/h1-10,12,14,19,31-32H,11,15H2/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 210n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196450
PNG
(US10202344, Compound 47 | US9212139, 47)
Show SMILES N[C@H](CO)Cc1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C25H20F3N3O2/c26-25(27,28)23-10-9-21(12-16(23)13-29)33-20-7-5-19(6-8-20)31-14-17(11-18(30)15-32)22-3-1-2-4-24(22)31/h1-10,12,14,18,32H,11,15,30H2/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 213n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196476
PNG
(US10202344, Compound 122 | US9212139, 122)
Show SMILES NC(=O)c1cccc2n(cc(C[C@H](O)CO)c12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H21FN2O4/c25-16-4-8-19(9-5-16)31-20-10-6-17(7-11-20)27-13-15(12-18(29)14-28)23-21(24(26)30)2-1-3-22(23)27/h1-11,13,18,28-29H,12,14H2,(H2,26,30)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 222n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196460
PNG
(US10202344, Compound 60 | US9212139, 60)
Show SMILES NC(=O)C(O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C24H16F3N3O3/c25-24(26,27)20-10-9-17(11-14(20)12-28)33-16-7-5-15(6-8-16)30-13-19(22(31)23(29)32)18-3-1-2-4-21(18)30/h1-11,13,22,31H,(H2,29,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 224n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196437
PNG
(US10202344, Compound 28 | US9212139, 28)
Show SMILES NC(Cc1c([nH]c2ccccc12)-c1ccc(Oc2ccccc2)cc1)C(N)=O
Show InChI InChI=1S/C23H21N3O2/c24-20(23(25)27)14-19-18-8-4-5-9-21(18)26-22(19)15-10-12-17(13-11-15)28-16-6-2-1-3-7-16/h1-13,20,26H,14,24H2,(H2,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 240n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196467
PNG
(US10202344, Compound 83 | US9212139, 83)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C23H19F3N2O3/c24-23(25,26)16-5-10-22(27-12-16)31-19-8-6-17(7-9-19)28-13-15(11-18(30)14-29)20-3-1-2-4-21(20)28/h1-10,12-13,18,29-30H,11,14H2/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 257n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196456
PNG
(US10202344, Compound 51 | US9212139, 51)
Show SMILES OCC(O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C24H17F3N2O3/c25-24(26,27)21-10-9-18(11-15(21)12-28)32-17-7-5-16(6-8-17)29-13-20(23(31)14-30)19-3-1-2-4-22(19)29/h1-11,13,23,30-31H,14H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 260n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196475
PNG
(US10202344, Compound 120 | US9212139, 120)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(F)cc3)cc2)c2cccc(C#N)c12
Show InChI InChI=1S/C24H19FN2O3/c25-18-4-8-21(9-5-18)30-22-10-6-19(7-11-22)27-14-17(12-20(29)15-28)24-16(13-26)2-1-3-23(24)27/h1-11,14,20,28-29H,12,15H2/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 262n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196497
PNG
(US10202344, Compound 200 | US9212139, 200)
Show SMILES OCCn1cc(C[C@H](O)CO)c2cc(ccc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H24FNO4/c26-20-4-8-23(9-5-20)31-22-6-1-17(2-7-22)18-3-10-25-24(14-18)19(13-21(30)16-29)15-27(25)11-12-28/h1-10,14-15,21,28-30H,11-13,16H2/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 273n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196495
PNG
(US10202344, Compound 195 | US9212139, 195)
Show SMILES NC(=O)C(O)c1cn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C22H16F3N3O3/c23-22(24,25)13-5-10-19(27-11-13)31-15-8-6-14(7-9-15)28-12-17(20(29)21(26)30)16-3-1-2-4-18(16)28/h1-12,20,29H,(H2,26,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 276n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196438
PNG
(US10202344, Compound 35 | US9212139, 35)
Show SMILES NC(Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12)C(N)=O
Show InChI InChI=1S/C23H21N3O2/c24-21(23(25)27)14-16-15-26(22-9-5-4-8-20(16)22)17-10-12-19(13-11-17)28-18-6-2-1-3-7-18/h1-13,15,21H,14,24H2,(H2,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 278n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196439
PNG
(US10202344, Compound 10 | US9212139, 10)
Show SMILES NC(CO)Cc1c[nH]c2ccc(cc12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H22N2O2/c24-19(15-26)12-18-14-25-23-11-8-17(13-22(18)23)16-6-9-21(10-7-16)27-20-4-2-1-3-5-20/h1-11,13-14,19,25-26H,12,15,24H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 296n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196451
PNG
(US10202344, Compound 44 | US9212139, 44)
Show SMILES N[C@@H](CO)Cc1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C25H20F3N3O2/c26-25(27,28)23-10-9-21(12-16(23)13-29)33-20-7-5-19(6-8-20)31-14-17(11-18(30)15-32)22-3-1-2-4-24(22)31/h1-10,12,14,18,32H,11,15,30H2/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 304n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196480
PNG
(US10202344, Compound 145 | US9212139, 145)
Show SMILES NC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C20H15N3O2/c21-20(24)19-17-8-4-5-9-18(17)23(22-19)14-10-12-16(13-11-14)25-15-6-2-1-3-7-15/h1-13H,(H2,21,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 326n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196496
PNG
(US10202344, Compound 196 | US9212139, 196)
Show SMILES N[C@H](CO)Cc1cn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C23H20F3N3O2/c24-23(25,26)16-5-10-22(28-12-16)31-19-8-6-18(7-9-19)29-13-15(11-17(27)14-30)20-3-1-2-4-21(20)29/h1-10,12-13,17,30H,11,14,27H2/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 340n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM339851
PNG
(1-(4-4-(trifluoromethyl)phenoxy)phenyl)-1H-pyrrolo...)
Show SMILES OCc1cn(-c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)c2cnccc12
Show InChI InChI=1S/C21H15F3N2O2/c22-21(23,24)15-1-5-17(6-2-15)28-18-7-3-16(4-8-18)26-12-14(13-27)19-9-10-25-11-20(19)26/h1-12,27H,13H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 345n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196484
PNG
(US10202344, Compound 155 | US9212139, 155)
Show SMILES NC(=O)c1nn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)12-5-10-17(25-11-12)29-14-8-6-13(7-9-14)27-16-4-2-1-3-15(16)18(26-27)19(24)28/h1-11H,(H2,24,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 362n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196440
PNG
(US10202344, Compound 37 | US9212139, 37)
Show SMILES NC(Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12)C(=O)NCCO
Show InChI InChI=1S/C25H25N3O3/c26-23(25(30)27-14-15-29)16-18-17-28(24-9-5-4-8-22(18)24)19-10-12-21(13-11-19)31-20-6-2-1-3-7-20/h1-13,17,23,29H,14-16,26H2,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 364n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196458
PNG
(US10202344, Compound 57 | US9212139, 57)
Show SMILES N[C@H](CO)Cc1cn(-c2ccc(Oc3cccc(c3)C#N)cc2)c2ccccc12
Show InChI InChI=1S/C24H21N3O2/c25-14-17-4-3-5-22(12-17)29-21-10-8-20(9-11-21)27-15-18(13-19(26)16-28)23-6-1-2-7-24(23)27/h1-12,15,19,28H,13,16,26H2/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 383n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196441
PNG
(US10202344, Compound 34 | US9212139, 34)
Show SMILES NC(CO)Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C23H22N2O2/c24-18(16-26)14-17-15-25(23-9-5-4-8-22(17)23)19-10-12-21(13-11-19)27-20-6-2-1-3-7-20/h1-13,15,18,26H,14,16,24H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 389n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196442
PNG
(US10202344, Compound 8 | US9212139, 8)
Show SMILES NC(Cc1c[nH]c2ccc(cc12)-c1ccc(Oc2ccccc2)cc1)C(N)=O
Show InChI InChI=1S/C23H21N3O2/c24-21(23(25)27)13-17-14-26-22-11-8-16(12-20(17)22)15-6-9-19(10-7-15)28-18-4-2-1-3-5-18/h1-12,14,21,26H,13,24H2,(H2,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 399n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196502
PNG
(US10202344, Compound 193 | US9212139, 193)
Show SMILES NC(=O)C(O)c1cn(-c2ccc(Oc3ccc(C#N)c(c3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C24H16F3N3O3/c25-24(26,27)20-11-17(8-5-14(20)12-28)33-16-9-6-15(7-10-16)30-13-19(22(31)23(29)32)18-3-1-2-4-21(18)30/h1-11,13,22,31H,(H2,29,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 414n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196485
PNG
(US10202344, Compound 159 | US9212139, 159)
Show SMILES OCC(O)CNC(=O)c1nn(-c2ccc(Oc3ccc(cc3)C#N)cc2)c2ccccc12
Show InChI InChI=1S/C24H20N4O4/c25-13-16-5-9-19(10-6-16)32-20-11-7-17(8-12-20)28-22-4-2-1-3-21(22)23(27-28)24(31)26-14-18(30)15-29/h1-12,18,29-30H,14-15H2,(H,26,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 431n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196474
PNG
(US10202344, Compound 115 | US9212139, 115)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(F)cc3)cc2)c2c(cccc12)C#N
Show InChI InChI=1S/C24H19FN2O3/c25-18-4-8-21(9-5-18)30-22-10-6-19(7-11-22)27-14-17(12-20(29)15-28)23-3-1-2-16(13-26)24(23)27/h1-11,14,20,28-29H,12,15H2/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 474n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196494
PNG
(US10202344, Compound 192 | US9212139, 192)
Show SMILES NC(=O)C(O)(c1cn(-c2ccc(Oc3ccc(C#N)c(c3)C(F)(F)F)cc2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C25H15F6N3O3/c26-24(27,28)19-11-17(8-5-14(19)12-32)37-16-9-6-15(7-10-16)34-13-20(18-3-1-2-4-21(18)34)23(36,22(33)35)25(29,30)31/h1-11,13,36H,(H2,33,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 475n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196466
PNG
(US10202344, Compound 77 | US9212139, 77)
Show SMILES OC[C@H](O)Cc1cn(-c2ccc(Oc3ccc(cc3)C#N)cc2)c2ccccc12
Show InChI InChI=1S/C24H20N2O3/c25-14-17-5-9-21(10-6-17)29-22-11-7-19(8-12-22)26-15-18(13-20(28)16-27)23-3-1-2-4-24(23)26/h1-12,15,20,27-28H,13,16H2/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 480n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196443
PNG
(US10202344, Compound 7 | US9212139, 7)
Show SMILES CCOC(=O)C(N)Cc1c[nH]c2ccc(cc12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H24N2O3/c1-2-29-25(28)23(26)15-19-16-27-24-13-10-18(14-22(19)24)17-8-11-21(12-9-17)30-20-6-4-3-5-7-20/h3-14,16,23,27H,2,15,26H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 481n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196486
PNG
(US10202344, Compound 166 | US9212139, 166)
Show SMILES OC[C@H](O)c1nn(-c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)c2cnccc12
Show InChI InChI=1S/C21H16F3N3O3/c22-21(23,24)13-1-5-15(6-2-13)30-16-7-3-14(4-8-16)27-18-11-25-10-9-17(18)20(26-27)19(29)12-28/h1-11,19,28-29H,12H2/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 486n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196464
PNG
(US10202344, Compound 74 | US9212139, 74)
Show SMILES OC[C@@H](O)Cc1cn(C[C@H](O)CO)c2ccc(cc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H26FNO5/c27-20-4-8-24(9-5-20)33-23-6-1-17(2-7-23)18-3-10-26-25(12-18)19(11-21(31)15-29)13-28(26)14-22(32)16-30/h1-10,12-13,21-22,29-32H,11,14-16H2/t21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 500n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196465
PNG
(US10202344, Compound 76 | US9212139, 76)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(cc3)C#N)cc2)c2ccccc12
Show InChI InChI=1S/C24H20N2O3/c25-14-17-5-9-21(10-6-17)29-22-11-7-19(8-12-22)26-15-18(13-20(28)16-27)23-3-1-2-4-24(23)26/h1-12,15,20,27-28H,13,16H2/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 501n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196468
PNG
(US10202344, Compound 80 | US9212139, 80)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C24H20F3NO3/c25-24(26,27)17-5-9-20(10-6-17)31-21-11-7-18(8-12-21)28-14-16(13-19(30)15-29)22-3-1-2-4-23(22)28/h1-12,14,19,29-30H,13,15H2/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 524n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196461
PNG
(US10202344, Compound 65 | US9212139, 65)
Show SMILES COC(=O)c1ccc2c(cn(-c3ccc(Oc4ccc(c(c4)C#N)C(F)(F)F)cc3)c2c1)C(O)C(N)=O
Show InChI InChI=1S/C26H18F3N3O5/c1-36-25(35)14-2-8-19-20(23(33)24(31)34)13-32(22(19)11-14)16-3-5-17(6-4-16)37-18-7-9-21(26(27,28)29)15(10-18)12-30/h2-11,13,23,33H,1H3,(H2,31,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 536n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196488
PNG
(US10202344, Compound 175 | US9212139, 175)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(cc3)C#N)cc2)c2cccnc12
Show InChI InChI=1S/C23H19N3O3/c24-13-16-3-7-20(8-4-16)29-21-9-5-18(6-10-21)26-14-17(12-19(28)15-27)23-22(26)2-1-11-25-23/h1-11,14,19,27-28H,12,15H2/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 549n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196462
PNG
(US10202344, Compound 68 | US9212139, 68)
Show SMILES OC[C@@H](O)CNC(=O)C(=O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C27H20F3N3O5/c28-27(29,30)23-10-9-20(11-16(23)12-31)38-19-7-5-17(6-8-19)33-14-22(21-3-1-2-4-24(21)33)25(36)26(37)32-13-18(35)15-34/h1-11,14,18,34-35H,13,15H2,(H,32,37)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 572n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196483
PNG
(US10202344, Compound 152 | US9212139, 152)
Show SMILES NC(=O)c1nn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C22H13F3N4O2/c23-22(24,25)18-10-9-16(11-13(18)12-26)31-15-7-5-14(6-8-15)29-19-4-2-1-3-17(19)20(28-29)21(27)30/h1-11H,(H2,27,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 602n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196455
PNG
(US10202344, Compound 43 | US9212139, 43)
Show SMILES NCCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C22H20N2O/c23-15-14-17-16-24(22-9-5-4-8-21(17)22)18-10-12-20(13-11-18)25-19-6-2-1-3-7-19/h1-13,16H,14-15,23H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 684n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196452
PNG
(US10202344, Compound 46 | US9212139, 46)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(cc2)-n2cc(C[C@H]3COC(=O)N3)c3ccccc23)cc1C#N
Show InChI InChI=1S/C26H18F3N3O3/c27-26(28,29)23-10-9-21(12-16(23)13-30)35-20-7-5-19(6-8-20)32-14-17(11-18-15-34-25(33)31-18)22-3-1-2-4-24(22)32/h1-10,12,14,18H,11,15H2,(H,31,33)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 715n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196493
PNG
(US10202344, Compound 186 | US9212139, 186)
Show SMILES NC(=O)Cn1cc(C[C@H](O)CO)c2cc(ccc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H23FN2O4/c26-19-4-8-22(9-5-19)32-21-6-1-16(2-7-21)17-3-10-24-23(12-17)18(11-20(30)15-29)13-28(24)14-25(27)31/h1-10,12-13,20,29-30H,11,14-15H2,(H2,27,31)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 717n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196463
PNG
(US10202344, Compound 69 | US9212139, 69)
Show SMILES OC[C@@H](O)CNC(=O)C(O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C27H22F3N3O5/c28-27(29,30)23-10-9-20(11-16(23)12-31)38-19-7-5-17(6-8-19)33-14-22(21-3-1-2-4-24(21)33)25(36)26(37)32-13-18(35)15-34/h1-11,14,18,25,34-36H,13,15H2,(H,32,37)/t18-,25?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 732n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM339820
PNG
(5-{4-[3-(2-ethoxyoxalyl)-1H-indol-1-yl]phenoxy}-2-...)
Show SMILES CCOC(=O)C(=O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C26H17F3N2O4/c1-2-34-25(33)24(32)21-15-31(23-6-4-3-5-20(21)23)17-7-9-18(10-8-17)35-19-11-12-22(26(27,28)29)16(13-19)14-30/h3-13,15H,2H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 740n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196469
PNG
(US10202344, Compound 90 | US9212139, 90)
Show SMILES CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)-n1cc(C[C@H](O)CO)c2ccccc12
Show InChI InChI=1S/C24H23FN2O4S/c1-26(19-8-6-18(25)7-9-19)32(30,31)22-12-10-20(11-13-22)27-15-17(14-21(29)16-28)23-4-2-3-5-24(23)27/h2-13,15,21,28-29H,14,16H2,1H3/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 865n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196489
PNG
(US10202344, Compound 177 | US9212139, 177)
Show SMILES CCN(CC)CCn1ccc2cc(ccc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H27FN2O/c1-3-28(4-2)17-18-29-16-15-22-19-21(7-14-26(22)29)20-5-10-24(11-6-20)30-25-12-8-23(27)9-13-25/h5-16,19H,3-4,17-18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 895n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196491
PNG
(US10202344, Compound 179 | US9212139, 179)
Show SMILES CCN(CC)CCn1cc(C(O)C(N)=O)c2cc(ccc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H30FN3O3/c1-3-31(4-2)15-16-32-18-25(27(33)28(30)34)24-17-20(7-14-26(24)32)19-5-10-22(11-6-19)35-23-12-8-21(29)9-13-23/h5-14,17-18,27,33H,3-4,15-16H2,1-2H3,(H2,30,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 912n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196444
PNG
(US10202344, Compound 39 | US9212139, 39)
Show SMILES CS(=O)(=O)NC(Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12)C(N)=O
Show InChI InChI=1S/C24H23N3O4S/c1-32(29,30)26-22(24(25)28)15-17-16-27(23-10-6-5-9-21(17)23)18-11-13-20(14-12-18)31-19-7-3-2-4-8-19/h2-14,16,22,26H,15H2,1H3,(H2,25,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.01E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196490
PNG
(US10202344, Compound 178 | US9212139, 178)
Show SMILES CCN(CC)CCn1cc(C(=O)C(N)=O)c2cc(ccc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H28FN3O3/c1-3-31(4-2)15-16-32-18-25(27(33)28(30)34)24-17-20(7-14-26(24)32)19-5-10-22(11-6-19)35-23-12-8-21(29)9-13-23/h5-14,17-18H,3-4,15-16H2,1-2H3,(H2,30,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.03E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196492
PNG
(US10202344, Compound 182 | US9212139, 182)
Show SMILES CCN(CC)CCn1cc(C[C@H](O)CO)c2cc(ccc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H33FN2O3/c1-3-31(4-2)15-16-32-19-23(17-25(34)20-33)28-18-22(7-14-29(28)32)21-5-10-26(11-6-21)35-27-12-8-24(30)9-13-27/h5-14,18-19,25,33-34H,3-4,15-17,20H2,1-2H3/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.07E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196487
PNG
(US10202344, Compound 170 | US9212139, 170)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(F)cc3)cc2)c2cnccc12
Show InChI InChI=1S/C22H19FN2O3/c23-16-1-5-19(6-2-16)28-20-7-3-17(4-8-20)25-13-15(11-18(27)14-26)21-9-10-24-12-22(21)25/h1-10,12-13,18,26-27H,11,14H2/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.38E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196472
PNG
(US10202344, Compound 105 | US9212139, 105)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(F)cc3)cc2)c2cc(ccc12)C#N
Show InChI InChI=1S/C24H19FN2O3/c25-18-2-6-21(7-3-18)30-22-8-4-19(5-9-22)27-14-17(12-20(29)15-28)23-10-1-16(13-26)11-24(23)27/h1-11,14,20,28-29H,12,15H2/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.65E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196470
PNG
(US10202344, Compound 92 | US9212139, 92)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C23H21FN2O4S/c24-17-5-7-18(8-6-17)25-31(29,30)21-11-9-19(10-12-21)26-14-16(13-20(28)15-27)22-3-1-2-4-23(22)26/h1-12,14,20,25,27-28H,13,15H2/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.89E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196453
PNG
(US10202344, Compound 45 | US9212139, 45)
Show SMILES CN(C)CCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccc(C[C@H]3COC(=O)N3)cc12
Show InChI InChI=1S/C28H29N3O3/c1-30(2)15-14-21-18-31(23-9-11-25(12-10-23)34-24-6-4-3-5-7-24)27-13-8-20(17-26(21)27)16-22-19-33-28(32)29-22/h3-13,17-18,22H,14-16,19H2,1-2H3,(H,29,32)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196445
PNG
(US10202344, Compound 17 | US9212139, 17)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2cc(ccc12)-c1ccc(Oc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C28H28N2O5/c1-28(2,3)35-27(33)30-25(26(31)32)16-20-17-29-24-15-19(11-14-23(20)24)18-9-12-22(13-10-18)34-21-7-5-4-6-8-21/h4-15,17,25,29H,16H2,1-3H3,(H,30,33)(H,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.93E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196500
PNG
(US10202344, Compound 141 | US9212139, 141)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2cccc(C(O)CO)c12
Show InChI InChI=1S/C27H23F3N2O5/c28-27(29,30)23-9-8-21(11-16(23)12-31)37-20-6-4-18(5-7-20)32-13-17(10-19(35)14-33)26-22(25(36)15-34)2-1-3-24(26)32/h1-9,11,13,19,25,33-36H,10,14-15H2/t19-,25?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.97E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196446
PNG
(US10202344, Compound 15 | US9212139, 15)
Show SMILES NC(Cc1c[nH]c2cc(ccc12)-c1ccc(Oc2ccccc2)cc1)C(N)=O
Show InChI InChI=1S/C23H21N3O2/c24-21(23(25)27)12-17-14-26-22-13-16(8-11-20(17)22)15-6-9-19(10-7-15)28-18-4-2-1-3-5-18/h1-11,13-14,21,26H,12,24H2,(H2,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.05E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196473
PNG
(US10202344, Compound 110 | US9212139, 110)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccc(cc12)C#N
Show InChI InChI=1S/C24H19FN2O3/c25-18-2-6-21(7-3-18)30-22-8-4-19(5-9-22)27-14-17(12-20(29)15-28)23-11-16(13-26)1-10-24(23)27/h1-11,14,20,28-29H,12,15H2/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.45E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196447
PNG
(US10202344, Compound 16 | US9212139, 16)
Show SMILES CCOC(=O)C(Cc1c[nH]c2cc(ccc12)-c1ccc(Oc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C30H32N2O5/c1-5-35-28(33)27(32-29(34)37-30(2,3)4)18-22-19-31-26-17-21(13-16-25(22)26)20-11-14-24(15-12-20)36-23-9-7-6-8-10-23/h6-17,19,27,31H,5,18H2,1-4H3,(H,32,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.52E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196478
PNG
(US10202344, Compound 129 | US9212139, 129)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(F)cc3)cc2)c2cccc(C(O)=O)c12
Show InChI InChI=1S/C24H20FNO5/c25-16-4-8-19(9-5-16)31-20-10-6-17(7-11-20)26-13-15(12-18(28)14-27)23-21(24(29)30)2-1-3-22(23)26/h1-11,13,18,27-28H,12,14H2,(H,29,30)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.34E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196459
PNG
(US10202344, Compound 59 | US9212139, 59)
Show SMILES NC(=O)C(=O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C24H14F3N3O3/c25-24(26,27)20-10-9-17(11-14(20)12-28)33-16-7-5-15(6-8-16)30-13-19(22(31)23(29)32)18-3-1-2-4-21(18)30/h1-11,13H,(H2,29,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.54E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196454
PNG
(US10202344, Compound 48 | US9212139, 48)
Show SMILES CN(C)CCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccc(C[C@H](N)CO)cc12
Show InChI InChI=1S/C27H31N3O2/c1-29(2)15-14-21-18-30(27-13-8-20(17-26(21)27)16-22(28)19-31)23-9-11-25(12-10-23)32-24-6-4-3-5-7-24/h3-13,17-18,22,31H,14-16,19,28H2,1-2H3/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.82E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196477
PNG
(US10202344, Compound 123 | US9212139, 123)
Show SMILES NC(=O)c1ccc2c(C[C@H](O)CO)cn(-c3ccc(Oc4ccc(F)cc4)cc3)c2c1
Show InChI InChI=1S/C24H21FN2O4/c25-17-2-6-20(7-3-17)31-21-8-4-18(5-9-21)27-13-16(11-19(29)14-28)22-10-1-15(24(26)30)12-23(22)27/h1-10,12-13,19,28-29H,11,14H2,(H2,26,30)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.92E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196448
PNG
(US10202344, Compound 6 | US9212139, 6)
Show SMILES CCOC(=O)C(Cc1c[nH]c2ccc(cc12)-c1ccc(Oc2ccccc2)cc1)[N+]([O-])=O
Show InChI InChI=1S/C25H22N2O5/c1-2-31-25(28)24(27(29)30)15-19-16-26-23-13-10-18(14-22(19)23)17-8-11-21(12-9-17)32-20-6-4-3-5-7-20/h3-14,16,24,26H,2,15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.14E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196482
PNG
(US10202344, Compound 150 | US9212139, 150)
Show SMILES NC(=O)c1nn(-c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)c2ccc(F)cc12
Show InChI InChI=1S/C21H13F4N3O2/c22-13-3-10-18-17(11-13)19(20(26)29)27-28(18)14-4-8-16(9-5-14)30-15-6-1-12(2-7-15)21(23,24)25/h1-11H,(H2,26,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.97E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196481
PNG
(US10202344, Compound 146 | US9212139, 146)
Show SMILES ONC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C20H15N3O3/c24-20(22-25)19-17-8-4-5-9-18(17)23(21-19)14-10-12-16(13-11-14)26-15-6-2-1-3-7-15/h1-13,25H,(H,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.07E+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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196449
PNG
(US10202344, Compound 9 | US9212139, 9)
Show SMILES NC(Cc1c[nH]c2ccc(cc12)-c1ccc(Oc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C23H20N2O3/c24-21(23(26)27)13-17-14-25-22-11-8-16(12-20(17)22)15-6-9-19(10-7-15)28-18-4-2-1-3-5-18/h1-12,14,21,25H,13,24H2,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196471
PNG
(US10202344, Compound 98 | US9212139, 98)
Show SMILES OC[C@H](O)c1ccc2n(cc(C(=O)C(O)=O)c2c1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1
Show InChI InChI=1S/C26H17F3N2O6/c27-26(28,29)21-7-6-18(9-15(21)11-30)37-17-4-2-16(3-5-17)31-12-20(24(34)25(35)36)19-10-14(23(33)13-32)1-8-22(19)31/h1-10,12,23,32-33H,13H2,(H,35,36)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/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 US10202344 (2019)

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


(Homo sapiens (Human))
BDBM196499
PNG
(US10202344, Compound 139 | US9212139, 139)
Show SMILES OC[C@H](O)Cc1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2cccc(C(O)CO)c12
Show InChI InChI=1S/C27H23F3N2O5/c28-27(29,30)23-9-8-21(11-16(23)12-31)37-20-6-4-18(5-7-20)32-13-17(10-19(35)14-33)26-22(25(36)15-34)2-1-3-24(26)32/h1-9,11,13,19,25,33-36H,10,14-15H2/t19-,25?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/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 US10202344 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%