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4 similar compounds to monomer 181232

Compile data set for download or QSAR
Wt: 416.4
BDBM181233
Wt: 450.3
BDBM181234
Wt: 444.4
BDBM181235
Wt: 421.3
BDBM181237

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 181233,181234,181235,181237   
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
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM181233
PNG
(US9139529, 76 | US9783501, Compound 76)
Show SMILES Cc1cc(F)ccc1Oc1nc2ccccc2cc1C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H17FN2O4/c1-14-12-17(25)8-11-21(14)31-23-19(13-16-4-2-3-5-20(16)27-23)22(28)26-18-9-6-15(7-10-18)24(29)30/h2-13H,1H3,(H,26,28)(H,29,30)
PDB

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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 315n/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons...


US Patent US9139529 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R1Z
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM181234
PNG
(US9139529, 77 | US9783501, Compound 77)
Show SMILES OC(=O)c1ccc(NC(=O)c2cc3ccccc3nc2Oc2ccccc2OC(F)F)cc1
Show InChI InChI=1S/C24H16F2N2O5/c25-24(26)33-20-8-4-3-7-19(20)32-22-17(13-15-5-1-2-6-18(15)28-22)21(29)27-16-11-9-14(10-12-16)23(30)31/h1-13,24H,(H,27,29)(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 975n/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons...


US Patent US9139529 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R1Z
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM181235
PNG
(US9139529, 78 | US9783501, Compound 78)
Show SMILES COc1ccc(Oc2nc3ccccc3cc2C(=O)Nc2ccc(cc2)C(O)=O)c(OC)c1
Show InChI InChI=1S/C25H20N2O6/c1-31-18-11-12-21(22(14-18)32-2)33-24-19(13-16-5-3-4-6-20(16)27-24)23(28)26-17-9-7-15(8-10-17)25(29)30/h3-14H,1-2H3,(H,26,28)(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 550n/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons...


US Patent US9139529 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R1Z
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM181237
PNG
(US9139529, 80 | US9783501, Compound 80)
Show SMILES OC(=O)c1ccc(NC(=O)c2cc3ccccc3nc2Oc2ccc(F)cc2F)cn1
Show InChI InChI=1S/C22H13F2N3O4/c23-13-5-8-19(16(24)10-13)31-21-15(9-12-3-1-2-4-17(12)27-21)20(28)26-14-6-7-18(22(29)30)25-11-14/h1-11H,(H,26,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 255n/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons...


US Patent US9783501 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM181233
PNG
(US9139529, 76 | US9783501, Compound 76)
Show SMILES Cc1cc(F)ccc1Oc1nc2ccccc2cc1C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H17FN2O4/c1-14-12-17(25)8-11-21(14)31-23-19(13-16-4-2-3-5-20(16)27-23)22(28)26-18-9-6-15(7-10-18)24(29)30/h2-13H,1H3,(H,26,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 315n/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons...


US Patent US9783501 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM181234
PNG
(US9139529, 77 | US9783501, Compound 77)
Show SMILES OC(=O)c1ccc(NC(=O)c2cc3ccccc3nc2Oc2ccccc2OC(F)F)cc1
Show InChI InChI=1S/C24H16F2N2O5/c25-24(26)33-20-8-4-3-7-19(20)32-22-17(13-15-5-1-2-6-18(15)28-22)21(29)27-16-11-9-14(10-12-16)23(30)31/h1-13,24H,(H,27,29)(H,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 975n/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons...


US Patent US9783501 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM181235
PNG
(US9139529, 78 | US9783501, Compound 78)
Show SMILES COc1ccc(Oc2nc3ccccc3cc2C(=O)Nc2ccc(cc2)C(O)=O)c(OC)c1
Show InChI InChI=1S/C25H20N2O6/c1-31-18-11-12-21(22(14-18)32-2)33-24-19(13-16-5-3-4-6-20(16)27-24)23(28)26-17-9-7-15(8-10-17)25(29)30/h3-14H,1-2H3,(H,26,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 550n/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons...


US Patent US9783501 (2017)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM181237
PNG
(US9139529, 80 | US9783501, Compound 80)
Show SMILES OC(=O)c1ccc(NC(=O)c2cc3ccccc3nc2Oc2ccc(F)cc2F)cn1
Show InChI InChI=1S/C22H13F2N3O4/c23-13-5-8-19(16(24)10-13)31-21-15(9-12-3-1-2-4-17(12)27-21)20(28)26-14-6-7-18(22(29)30)25-11-14/h1-11H,(H,26,28)(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 255n/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons...


US Patent US9139529 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R1Z
More data for this
Ligand-Target Pair