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2 similar compounds to monomer 181209

Compile data set for download or QSAR
Wt: 415.3
BDBM181207
Wt: 414.3
BDBM181212

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 181207,181212   
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))
BDBM181207
PNG
(US9139529, 50 | US9783501, Compound 50)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cc(ccn1)C#N
Show InChI InChI=1S/C22H14FN5O3/c1-30-18-11-14(23)6-7-17(18)31-22-20(26-15-4-2-3-5-16(15)27-22)21(29)28-19-10-13(12-24)8-9-25-19/h2-11H,1H3,(H,25,28,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.25E+3n/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))
BDBM181212
PNG
(US9139529, 55 | US9783501, Compound 55)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C23H15FN4O3/c1-30-20-12-15(24)8-11-19(20)31-23-21(27-17-4-2-3-5-18(17)28-23)22(29)26-16-9-6-14(13-25)7-10-16/h2-12H,1H3,(H,26,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 46n/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))
BDBM181207
PNG
(US9139529, 50 | US9783501, Compound 50)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cc(ccn1)C#N
Show InChI InChI=1S/C22H14FN5O3/c1-30-18-11-14(23)6-7-17(18)31-22-20(26-15-4-2-3-5-16(15)27-22)21(29)28-19-10-13(12-24)8-9-25-19/h2-11H,1H3,(H,25,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.25E+3n/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))
BDBM181212
PNG
(US9139529, 55 | US9783501, Compound 55)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C23H15FN4O3/c1-30-20-12-15(24)8-11-19(20)31-23-21(27-17-4-2-3-5-18(17)28-23)22(29)26-16-9-6-14(13-25)7-10-16/h2-12H,1H3,(H,26,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 46n/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