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BDBM50506172 CHEMBL4563994

SMILES: NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCCc1ccccc1

InChI Key: InChIKey=KTEFLUPCJVSYJR-UHFFFAOYSA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 50506172   
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))		BDBM50506172
PNG
(CHEMBL4563994)
Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCCc1ccccc1
Show InChI InChI=1S/C22H21ClN2O4S/c23-19-9-5-4-8-17(19)14-22(26)25-18-10-11-20(21(15-18)30(24,27)28)29-13-12-16-6-2-1-3-7-16/h1-11,15H,12-14H2,(H,25,26)(H2,24,27,28)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/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