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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50302719   
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 12


(Homo sapiens (Human))		BDBM50302719
PNG
((S)-4-(6-(4-(2-(dimethylamino)ethyl)piperidin-1-yl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CCN(C)C)CC1 |r|
Show InChI InChI=1S/C35H51N7O6/c1-4-5-9-24-48-35(47)42-22-20-41(21-23-42)34(46)28(12-13-31(43)44)37-33(45)29-25-30(38-32(36-29)27-10-7-6-8-11-27)40-18-15-26(16-19-40)14-17-39(2)3/h6-8,10-11,25-26,28H,4-5,9,12-24H2,1-3H3,(H,37,45)(H,43,44)/t28-/m0/s1
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Similars
Article
PubMed
 2.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay

Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair