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BDBM50397152 CHEMBL2172133

SMILES: CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCCO)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1

InChI Key: InChIKey=TXCXOAAMMUSZNO-YTMVLYRLSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50397152   
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))		BDBM50397152
PNG
(CHEMBL2172133)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCCO)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C35H49N7O8/c1-2-3-22-49-35(48)40-19-17-39(18-20-40)34(47)27(14-9-21-43)37-32(45)28-23-31(42(38-28)26-12-5-4-6-13-26)50-24-30(44)41-16-8-15-29(41)33(46)36-25-10-7-11-25/h4-6,12-13,23,25,27,29,43H,2-3,7-11,14-22,24H2,1H3,(H,36,46)(H,37,45)/t27-,29-/m0/s1
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Article
PubMed
 6.5n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method

J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair