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BDBM50506191 CHEMBL4439570

SMILES: NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCc1ccccn1

InChI Key: InChIKey=URKWSKFMZDDJLC-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 50506191   
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
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM50506191
PNG
(CHEMBL4439570)
Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCc1ccccn1
Show InChI InChI=1S/C20H18ClN3O4S/c21-17-7-2-1-5-14(17)11-20(25)24-15-8-9-18(19(12-15)29(22,26)27)28-13-16-6-3-4-10-23-16/h1-10,12H,11,13H2,(H,24,25)(H2,22,26,27)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...


J Med Chem 62: 11194-11217 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01304
More data for this
Ligand-Target Pair