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BDBM50451455 CHEMBL2325325

SMILES: NCc1cccc(c1)-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1

InChI Key: InChIKey=IKXKISRGWFQXCA-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 = 50451455   
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))
BDBM50451455
PNG
(CHEMBL2325325)
Show SMILES NCc1cccc(c1)-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C22H16ClN5O3S2/c23-17-4-6-21(19(10-17)15-3-1-2-14(8-15)11-24)31-20-7-5-18(9-16(20)12-25)33(29,30)28-22-26-13-27-32-22/h1-10,13H,11,24H2,(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.40n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50451455
PNG
(CHEMBL2325325)
Show SMILES NCc1cccc(c1)-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C22H16ClN5O3S2/c23-17-4-6-21(19(10-17)15-3-1-2-14(8-15)11-24)31-20-7-5-18(9-16(20)12-25)33(29,30)28-22-26-13-27-32-22/h1-10,13H,11,24H2,(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method


Bioorg Med Chem Lett 27: 4805-4811 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.056
BindingDB Entry DOI: 10.7270/Q25Q4ZN1
More data for this
Ligand-Target Pair