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SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CNCC)CC1

InChI Key: InChIKey=PCBHSBVCAWKRQU-LJAQVGFWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50307008   
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 12


(Homo sapiens (Human))		BDBM50307008
PNG
((S)-4-(4-(4-((ethylamino)methyl)piperidin-1-yl)-6-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CNCC)CC1 |r|
Show InChI InChI=1S/C35H50N6O6/c1-3-5-9-22-47-35(46)41-20-18-40(19-21-41)34(45)29(12-13-32(42)43)38-33(44)31-24-28(23-30(37-31)27-10-7-6-8-11-27)39-16-14-26(15-17-39)25-36-4-2/h6-8,10-11,23-24,26,29,36H,3-5,9,12-22,25H2,1-2H3,(H,38,44)(H,42,43)/t29-/m0/s1
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Similars
Article
PubMed
 1.5n/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