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SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCC3CCCCC3)nc12

InChI Key: InChIKey=HWNLTPXRJQGMPC-KCIBBDPESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50372022   
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))		BDBM50372022
PNG
(CHEMBL404123)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCC3CCCCC3)nc12
Show InChI InChI=1S/C34H43N7O4/c1-2-35-32(44)29-27(42)28(43)33(45-29)41-21-38-26-30(39-34(40-31(26)41)36-19-18-22-12-6-3-7-13-22)37-20-25(23-14-8-4-9-15-23)24-16-10-5-11-17-24/h4-5,8-11,14-17,21-22,25,27-29,33,42-43H,2-3,6-7,12-13,18-20H2,1H3,(H,35,44)(H2,36,37,39,40)/t27-,28+,29-,33+/m0/s1
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MMDB

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Similars
Article
PubMed
n/an/a 1.00E+3n/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