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BDBM263959 5-Cyclopropyl-4-((1-(3,5-dichloro-2-cyanobenzyl)piperidin-4-yl)methoxy)-2-fluoro-N-(methylsulfonyl)benzamide::US9546164, 594

SMILES: CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3C#N)CC2)cc1F

InChI Key: InChIKey=MYERANCLHZKYQM-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 263959   
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))
BDBM263959
PNG
(5-Cyclopropyl-4-((1-(3,5-dichloro-2-cyanobenzyl)pi...)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3C#N)CC2)cc1F
Show InChI InChI=1S/C25H26Cl2FN3O4S/c1-36(33,34)30-25(32)20-10-19(16-2-3-16)24(11-23(20)28)35-14-15-4-6-31(7-5-15)13-17-8-18(26)9-22(27)21(17)12-29/h8-11,15-16H,2-7,13-14H2,1H3,(H,30,32)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 137n/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 protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM263959
PNG
(5-Cyclopropyl-4-((1-(3,5-dichloro-2-cyanobenzyl)pi...)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3C#N)CC2)cc1F
Show InChI InChI=1S/C25H26Cl2FN3O4S/c1-36(33,34)30-25(32)20-10-19(16-2-3-16)24(11-23(20)28)35-14-15-4-6-31(7-5-15)13-17-8-18(26)9-22(27)21(17)12-29/h8-11,15-16H,2-7,13-14H2,1H3,(H,30,32)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 623n/an/an/an/a7.2n/a



Genentech Inc

US Patent


Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


US Patent US9546164 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM263959
PNG
(5-Cyclopropyl-4-((1-(3,5-dichloro-2-cyanobenzyl)pi...)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3C#N)CC2)cc1F
Show InChI InChI=1S/C25H26Cl2FN3O4S/c1-36(33,34)30-25(32)20-10-19(16-2-3-16)24(11-23(20)28)35-14-15-4-6-31(7-5-15)13-17-8-18(26)9-22(27)21(17)12-29/h8-11,15-16H,2-7,13-14H2,1H3,(H,30,32)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.40n/an/an/an/a7.2n/a



Genentech Inc

US Patent


Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


US Patent US9546164 (2017)


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