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BDBM50379407 CHEMBL2012020

SMILES: Nc1nnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)s1

InChI Key: InChIKey=ZYSIRIKAGPHEBH-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50379407   
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))
BDBM50379407
PNG
(CHEMBL2012020)
Show SMILES Nc1nnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)s1
Show InChI InChI=1S/C14H11ClN4OS/c15-9-1-5-11(6-2-9)20-12-7-3-10(4-8-12)17-14-19-18-13(16)21-14/h1-8H,(H2,16,18)(H,17,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.13E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human partially inactivated NaV 1.7 channel expressed in HEK293 cells by PatchXpress voltage patch clamp assay


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair