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2 similar compounds to monomer 71510

Compile data set for download or QSAR
Wt: 547.9
BDBM71528
Wt: 463.3
BDBM71509

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 71528,71509   
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 Complex


(Homo sapiens (Human))
BDBM71509
PNG
(US9546164, 528 | US9694002, 528)
Show SMILES NC(=O)c1cc(C2CC2)c(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cc(Cl)cc(Cl)c2)cc1F
Show InChI InChI=1/C24H25Cl2FN2O2/c25-15-6-16(26)8-19(7-15)31-20-9-17-3-4-18(10-20)29(17)12-14-5-23(27)22(24(28)30)11-21(14)13-1-2-13/h5-8,11,13,17-18,20H,1-4,9-10,12H2,(H2,28,30)/t17-,18+,20-
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.40n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71528
PNG
(US9546164, 543 | US9694002, 543)
Show SMILES Fc1cc(OCC2CN(C2)c2cc(c(Cl)cn2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C23H22ClF4N3O4S/c24-18-8-29-21(6-17(18)23(26,27)28)31-9-12(10-31)11-35-20-7-19(25)16(5-15(20)13-1-2-13)22(32)30-36(33,34)14-3-4-14/h5-8,12-14H,1-4,9-11H2,(H,30,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 11.7n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...


US Patent US9546164 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71509
PNG
(US9546164, 528 | US9694002, 528)
Show SMILES NC(=O)c1cc(C2CC2)c(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cc(Cl)cc(Cl)c2)cc1F
Show InChI InChI=1/C24H25Cl2FN2O2/c25-15-6-16(26)8-19(7-15)31-20-9-17-3-4-18(10-20)29(17)12-14-5-23(27)22(24(28)30)11-21(14)13-1-2-13/h5-8,11,13,17-18,20H,1-4,9-10,12H2,(H2,28,30)/t17-,18+,20-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 3.40n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...


US Patent US9546164 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71528
PNG
(US9546164, 543 | US9694002, 543)
Show SMILES Fc1cc(OCC2CN(C2)c2cc(c(Cl)cn2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C23H22ClF4N3O4S/c24-18-8-29-21(6-17(18)23(26,27)28)31-9-12(10-31)11-35-20-7-19(25)16(5-15(20)13-1-2-13)22(32)30-36(33,34)14-3-4-14/h5-8,12-14H,1-4,9-11H2,(H,30,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 12n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair