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BDBM71543 US9546164, 554::US9694002, 554

SMILES: CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)c2cc(c(Cl)cn2)C(F)(F)F)cc1F

InChI Key: InChIKey=ZZPCDLASCPKEDD-UHFFFAOYSA-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 = 71543   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71543
PNG
(US9546164, 554 | US9694002, 554)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)c2cc(c(Cl)cn2)C(F)(F)F)cc1F
Show InChI InChI=1S/C23H24ClF4N3O4S/c1-36(33,34)30-22(32)16-8-15(14-2-3-14)20(10-19(16)25)35-12-13-4-6-31(7-5-13)21-9-17(23(26,27)28)18(24)11-29-21/h8-11,13-14H,2-7,12H2,1H3,(H,30,32)
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.20n/an/an/an/a7.425



Genentech 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))
BDBM71543
PNG
(US9546164, 554 | US9694002, 554)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)c2cc(c(Cl)cn2)C(F)(F)F)cc1F
Show InChI InChI=1S/C23H24ClF4N3O4S/c1-36(33,34)30-22(32)16-8-15(14-2-3-14)20(10-19(16)25)35-12-13-4-6-31(7-5-13)21-9-17(23(26,27)28)18(24)11-29-21/h8-11,13-14H,2-7,12H2,1H3,(H,30,32)
PDB

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UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.20n/an/an/an/a7.425



Genentech 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