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

InChI Key: InChIKey=JZTVQVQEFVILIO-XYIJYTLJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50372024   
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))		BDBM50372024
PNG
(CHEMBL257213)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CNC(=O)NCCN(C(C)C)C(C)C)nc12
Show InChI InChI=1S/C36H49N9O5/c1-6-37-34(48)31-29(46)30(47)35(50-31)45-21-41-28-32(39-19-26(24-13-9-7-10-14-24)25-15-11-8-12-16-25)42-27(43-33(28)45)20-40-36(49)38-17-18-44(22(2)3)23(4)5/h7-16,21-23,26,29-31,35,46-47H,6,17-20H2,1-5H3,(H,37,48)(H2,38,40,49)(H,39,42,43)/t29-,30+,31-,35+/m0/s1
PDB
MMDB

NCI pathway
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KEGG

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Similars
Article
PubMed
n/an/a 11n/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