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SMILES: [Na+].Cc1cc(C)cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1

InChI Key: InChIKey=QNCHUZFQWQGZGX-UHFFFAOYSA-M

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50237558   
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))		BDBM50237558
PNG
(CHEMBL1671994)
Show SMILES [Na+].Cc1cc(C)cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
Show InChI InChI=1S/C22H18N2O5S/c1-11-7-12(2)9-13(8-11)24-16-10-17(30(27,28)29)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)/p-1
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Article
PubMed
n/an/a 6.45E+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