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SMILES: COC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CCNC3CCCCC3)nc12

InChI Key: InChIKey=ZLTQPWYNPZMERV-FTBITJBVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50372026   
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
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50372026
PNG
(CHEMBL257429)
Show SMILES COC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CCNC3CCCCC3)nc12
Show InChI InChI=1S/C33H42N6O4/c1-42-20-26-29(40)30(41)33(43-26)39-21-36-28-31(37-27(38-32(28)39)17-18-34-24-15-9-4-10-16-24)35-19-25(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-3,5-8,11-14,21,24-26,29-30,33-34,40-41H,4,9-10,15-20H2,1H3,(H,35,37,38)/t26-,29-,30-,33-/m1/s1
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Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor

Bioorg Med Chem Lett 18: 1284-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.033
BindingDB Entry DOI: 10.7270/Q22808F4
More data for this
Ligand-Target Pair