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BDBM50201180 CHEMBL3910180

SMILES: COc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1cscn1)C(F)(F)F

InChI Key: InChIKey=AQLNQNFYWXYQCH-UHFFFAOYSA-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 = 50201180   
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))
BDBM50201180
PNG
(CHEMBL3910180)
Show SMILES COc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1cscn1)C(F)(F)F
Show InChI InChI=1S/C21H15F3N2O3S2/c1-29-19-10-14(21(22,23)24)5-7-18(19)17-4-2-3-13-9-15(6-8-16(13)17)31(27,28)26-20-11-30-12-25-20/h2-12,26H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inhibition of sodium current at holding potential of -125 mV measured for 3 to 5 min...


ACS Med Chem Lett 7: 1062-1067 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00243
BindingDB Entry DOI: 10.7270/Q2VM4F65
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50201180
PNG
(CHEMBL3910180)
Show SMILES COc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1cscn1)C(F)(F)F
Show InChI InChI=1S/C21H15F3N2O3S2/c1-29-19-10-14(21(22,23)24)5-7-18(19)17-4-2-3-13-9-15(6-8-16(13)17)31(27,28)26-20-11-30-12-25-20/h2-12,26H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells assessed as inhibition of sodium current at holding potential of -125 mV measured for 3 to 5 min...


ACS Med Chem Lett 7: 1062-1067 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00243
BindingDB Entry DOI: 10.7270/Q2VM4F65
More data for this
Ligand-Target Pair