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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 2' and Ligand = 'BDBM50371598'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50371598
PNG
(CHEMBL1162170)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3OC(Cc4ccccc4)O[C@H]23)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C28H34N10O19P4/c29-23-17-25(33-9-31-23)37(11-35-17)27-20(40)19(39)14(51-27)7-49-58(41,42)55-60(45,46)57-61(47,48)56-59(43,44)50-8-15-21-22(54-16(53-21)6-13-4-2-1-3-5-13)28(52-15)38-12-36-18-24(30)32-10-34-26(18)38/h1-5,9-12,14-16,19-22,27-28,39-40H,6-8H2,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,29,31,33)(H2,30,32,34)/t14-,15+,16?,19-,20-,21+,22+,27-,28+/m0/s1
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Similars
Article
PubMed
n/an/an/an/a 52n/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at P2Y2 receptor expressed in human 1321 cells by calcium mobilization assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair