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BDBM50371579 CHEMBL1162171

SMILES: CCCCCCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(O[C@@H]12)\C=C\c1ccccc1

InChI Key: InChIKey=HDOZVFNCKJHRKN-MIAZDVPBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50371579   
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
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371579
PNG
(CHEMBL1162171)
Show SMILES CCCCCCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(O[C@@H]12)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C26H33N6O8P/c1-2-3-4-8-13-27-26(33)31-23-20-24(29-15-28-23)32(16-30-20)25-22-21(18(38-25)14-37-41(34,35)36)39-19(40-22)12-11-17-9-6-5-7-10-17/h5-7,9-12,15-16,18-19,21-22,25H,2-4,8,13-14H2,1H3,(H2,34,35,36)(H2,27,28,29,31,33)/b12-11+/t18-,19?,21-,22-,25-/m1/s1
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Article
PubMed
n/an/a 237n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair