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BDBM50489786 CHEMBL2325827

SMILES: Cc1cnc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(c2)C#N)s1

InChI Key: InChIKey=COHJDHITLPHCOY-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50489786   
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 9 subunit alpha


(Homo sapiens (Human))
BDBM50489786
PNG
(CHEMBL2325827)
Show SMILES Cc1cnc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(c2)C#N)s1
Show InChI InChI=1S/C23H17N3O3S2/c1-16-15-25-23(30-16)26-31(27,28)19-11-12-21(18(13-19)14-24)29-22-10-6-5-9-20(22)17-7-3-2-4-8-17/h2-13,15H,1H3,(H,25,26)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.17E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NaV1.7 ion channel (unknown origin)


Bioorg Med Chem Lett 23: 261-3 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.102
BindingDB Entry DOI: 10.7270/Q2445QD6
More data for this
Ligand-Target Pair