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3 similar compounds to monomer 186574

Compile data set for download or QSAR
Wt: 516.3
BDBM186573
Wt: 482.7
BDBM186575
Wt: 502.3
BDBM186576

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 186573,186575,186576   
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))
BDBM186573
PNG
(US9163042, 9)
Show SMILES Cc1cc(F)ccc1Oc1cc(ccc1C(=O)Nc1ccn(COP(O)(O)=O)c(=O)c1)C(F)(F)F
Show InChI InChI=1S/C21H17F4N2O7P/c1-12-8-14(22)3-5-17(12)34-18-9-13(21(23,24)25)2-4-16(18)20(29)26-15-6-7-27(19(28)10-15)11-33-35(30,31)32/h2-10H,11H2,1H3,(H,26,29)(H2,30,31,32)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 330n/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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM186576
PNG
(US9163042, 18)
Show SMILES OP(O)(=O)OCn1ccc(NC(=O)c2cc(ccc2Oc2ccc(F)cc2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C20H15F4N2O7P/c21-13-2-4-15(5-3-13)33-17-6-1-12(20(22,23)24)9-16(17)19(28)25-14-7-8-26(18(27)10-14)11-32-34(29,30)31/h1-10H,11H2,(H,25,28)(H2,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 457n/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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM186575
PNG
(US9163042, 13)
Show SMILES Cc1cc(F)ccc1Oc1cc(Cl)ccc1C(=O)Nc1ccn(COP(O)(O)=O)c(=O)c1
Show InChI InChI=1S/C20H17ClFN2O7P/c1-12-8-14(22)3-5-17(12)31-18-9-13(21)2-4-16(18)20(26)23-15-6-7-24(19(25)10-15)11-30-32(27,28)29/h2-10H,11H2,1H3,(H,23,26)(H2,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 329n/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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair