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BDBM71224 US9546164, 323::US9694002, 323

SMILES: C[C@@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1

InChI Key: InChIKey=PPNSUOZZLIDACH-DNVCBOLYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 71224   
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 protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71224
PNG
(US9546164, 323 | US9694002, 323)
Show SMILES C[C@@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C26H29ClF2N2O4S/c1-15-2-7-19(14-31(15)13-17-5-6-18(28)10-23(17)27)35-25-12-24(29)22(11-21(25)16-3-4-16)26(32)30-36(33,34)20-8-9-20/h5-6,10-12,15-16,19-20H,2-4,7-9,13-14H2,1H3,(H,30,32)/t15-,19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/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)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71224
PNG
(US9546164, 323 | US9694002, 323)
Show SMILES C[C@@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C26H29ClF2N2O4S/c1-15-2-7-19(14-31(15)13-17-5-6-18(28)10-23(17)27)35-25-12-24(29)22(11-21(25)16-3-4-16)26(32)30-36(33,34)20-8-9-20/h5-6,10-12,15-16,19-20H,2-4,7-9,13-14H2,1H3,(H,30,32)/t15-,19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/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