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

InChI Key: InChIKey=WNYWKOICOFIXBE-SANMLTNESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50307602   
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))		BDBM50307602
PNG
((4S)-4-[({4-[3-(Dimethylamino)propyl]-6-phenylpyri...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCCN(C)C)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H45N5O6/c1-4-5-9-21-43-32(42)37-19-17-36(18-20-37)31(41)26(14-15-29(38)39)34-30(40)28-23-24(11-10-16-35(2)3)22-27(33-28)25-12-7-6-8-13-25/h6-8,12-13,22-23,26H,4-5,9-11,14-21H2,1-3H3,(H,34,40)(H,38,39)/t26-/m0/s1
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Similars
Article
PubMed
 1n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells

J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair