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SMILES: [Na+].COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1OC

InChI Key: InChIKey=JEBDYXUYQPCGII-UHFFFAOYSA-M

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50237559   
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
P2Y purinoceptor 4


(Homo sapiens (Human))		BDBM50237559
PNG
(CHEMBL4063599)
Show SMILES [Na+].COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1OC
Show InChI InChI=1S/C22H18N2O7S/c1-30-15-8-7-11(9-16(15)31-2)24-14-10-17(32(27,28)29)20(23)19-18(14)21(25)12-5-3-4-6-13(12)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)/p-1
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Article
PubMed
n/an/a 4.98E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y4 receptor transfected in human 1321N1 cells assessed as inhibition of UTP-activated intracellular calcium mobilizati...

J Med Chem 60: 3020-3038 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00030
BindingDB Entry DOI: 10.7270/Q2G73H15
More data for this
Ligand-Target Pair