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BDBM50024249 CHEMBL3325529

SMILES: Cc1ccc(cc1)[C@H]1CCNC[C@@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1

InChI Key: InChIKey=ZBELRVLBJKOYGL-MNSHXRSINA-N

Data: 2 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 2 hits for monomerid = 50024249   
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 9 subunit alpha


(Homo sapiens (Human))
BDBM50024249
PNG
(CHEMBL3325529)
Show SMILES Cc1ccc(cc1)[C@H]1CCNC[C@@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1/C21H22F2N4O3S2/c1-13-2-4-14(5-3-13)16-6-7-24-10-15(16)11-30-19-8-18(23)20(9-17(19)22)32(28,29)27-21-25-12-26-31-21/h2-5,8-9,12,15-16,24H,6-7,10-11H2,1H3,(H,25,26,27)/t15-,16-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...


Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50024249
PNG
(CHEMBL3325529)
Show SMILES Cc1ccc(cc1)[C@H]1CCNC[C@@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1/C21H22F2N4O3S2/c1-13-2-4-14(5-3-13)16-6-7-24-10-15(16)11-30-19-8-18(23)20(9-17(19)22)32(28,29)27-21-25-12-26-31-21/h2-5,8-9,12,15-16,24H,6-7,10-11H2,1H3,(H,25,26,27)/t15-,16-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...


Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair