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BDBM50371599 CHEMBL1162169

SMILES: OP(=O)(OC[C@H]1O[C@H]([C@@H]2OC(Cc3ccccc3)O[C@H]12)n1ccc(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2OC(Cc3ccccc3)O[C@@H]12)n1ccc(=O)[nH]c1=O

InChI Key: InChIKey=NLTYKKYJCVENAL-HWRQHDFZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50371599   
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))		BDBM50371599
PNG
(CHEMBL1162169)
Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2OC(Cc3ccccc3)O[C@H]12)n1ccc(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2OC(Cc3ccccc3)O[C@@H]12)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C34H37N4O20P3/c39-23-11-13-37(33(41)35-23)31-29-27(53-25(55-29)15-19-7-3-1-4-8-19)21(51-31)17-49-59(43,44)57-61(47,48)58-60(45,46)50-18-22-28-30(32(52-22)38-14-12-24(40)36-34(38)42)56-26(54-28)16-20-9-5-2-6-10-20/h1-14,21-22,25-32H,15-18H2,(H,43,44)(H,45,46)(H,47,48)(H,35,39,41)(H,36,40,42)/t21-,22+,25?,26?,27-,28+,29-,30+,31-,32+
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Article
PubMed
n/an/a 4.63E+3n/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