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SMILES: COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2ccccc2OC)c1=O

InChI Key: InChIKey=PHUGVOFIFNJFOY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50248263   
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))		BDBM50248263
PNG
(2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-(2-meth...)
Show SMILES COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2ccccc2OC)c1=O |(17.32,5.78,;16.55,4.46,;17.32,3.12,;18.85,3.12,;19.63,1.78,;18.85,.45,;17.31,.45,;16.55,1.8,;15.01,1.81,;14.23,.48,;12.77,,;11.44,.78,;10.11,,;10.11,-1.54,;8.78,-2.31,;7.44,-1.54,;6.66,-.21,;5.9,-1.54,;11.44,-2.3,;12.77,-1.54,;14.24,-2.02,;14.98,-3.36,;14.18,-4.68,;14.93,-6.02,;16.47,-6.05,;17.26,-4.72,;16.51,-3.38,;17.3,-2.06,;18.84,-2.08,;15.14,-.77,;16.68,-.77,)|
Show InChI InChI=1S/C23H23N5O3/c1-30-19-9-5-3-7-15(19)14-27-18-13-24-22(25-16-11-12-16)26-21(18)28(23(27)29)17-8-4-6-10-20(17)31-2/h3-10,13,16H,11-12,14H2,1-2H3,(H,24,25,26)
PDB
MMDB

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Article
PubMed
 1.56E+3n/an/an/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells

Bioorg Med Chem Lett 19: 1399-402 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9
More data for this
Ligand-Target Pair