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BDBM50397181 CHEMBL2172158

SMILES: CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC(C2)C(=O)NC2CCC2)n(n1)-c1ccccc1

InChI Key: InChIKey=POCASLQMEDGEJT-TUXUZCGSSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50397181   
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))		BDBM50397181
PNG
(CHEMBL2172158)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC(C2)C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H43N7O9/c1-2-48-33(47)38-17-15-37(16-18-38)32(46)25(11-12-29(42)43)35-31(45)26-19-28(40(36-26)24-9-4-3-5-10-24)49-21-27(41)39-14-13-22(20-39)30(44)34-23-7-6-8-23/h3-5,9-10,19,22-23,25H,2,6-8,11-18,20-21H2,1H3,(H,34,44)(H,35,45)(H,42,43)/t22?,25-/m0/s1
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Article
PubMed
 238n/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