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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM50500451'   
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 1


(Homo sapiens (Human))		BDBM50500451
PNG
(CHEMBL3746620)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#8-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Show InChI InChI=1S/C23H33ClN10O18P4S2.4Na/c1-57-22-29-15(25)9-17(31-22)33(5-27-9)19-13(37)11(35)7(49-19)3-47-55(43,44)51-53(39,40)21(24)54(41,42)52-56(45,46)48-4-8-12(36)14(38)20(50-8)34-6-28-10-16(26)30-23(58-2)32-18(10)34;;;;/h5-8,11-14,19-21,35-38H,3-4H2,1-2H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,25,29,31)(H2,26,30,32);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,19-,20-;;;;/m1..../s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...

Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair