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SMILES: COc1cccc2c3nc(nn3c(N)nc12)[C@@H]1CCCN(CCN2CCOCC2)C1

InChI Key: InChIKey=NRNOCYPDVHHMKD-OAHLLOKOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 471632   
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))		BDBM471632
PNG
((R)-7-methoxy-2-(1-(2- morpholinoethyl)piperidin- ...)
Show SMILES COc1cccc2c3nc(nn3c(N)nc12)[C@@H]1CCCN(CCN2CCOCC2)C1 |r|
Show InChI InChI=1S/C21H29N7O2/c1-29-17-6-2-5-16-18(17)23-21(22)28-20(16)24-19(25-28)15-4-3-7-27(14-15)9-8-26-10-12-30-13-11-26/h2,5-6,15H,3-4,7-14H2,1H3,(H2,22,23)/t15-/m1/s1
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US Patent
 1.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding affinities of compounds of the invention for the human A2A receptor were determined in a competition binding assay using Scintillation Proxim...

US Patent US10822338 (2020)


BindingDB Entry DOI: 10.7270/Q2KS6VMH
More data for this
Ligand-Target Pair