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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50306996   
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))		BDBM50306996
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2=O)CC1 |r|
Show InChI InChI=1S/C36H48N6O7/c1-2-3-22-49-36(48)41-20-18-40(19-21-41)35(47)29(11-12-33(44)45)38-34(46)31-24-28(23-30(37-31)27-8-5-4-6-9-27)39-16-13-26(14-17-39)25-42-15-7-10-32(42)43/h4-6,8-9,23-24,26,29H,2-3,7,10-22,25H2,1H3,(H,38,46)(H,44,45)/t29-/m0/s1
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Similars
Article
PubMed
 0.790n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y12 receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 1388-94 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.110
BindingDB Entry DOI: 10.7270/Q2ZP467B
More data for this
Ligand-Target Pair