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SMILES: COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(COCC(C)C)n1

InChI Key: InChIKey=WOPFJIUIXCLOJH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 303286   
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))		BDBM303286
PNG
(2-amino-N-[[6- (isobutoxymethyl)-2- pyridyl]methyl...)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(COCC(C)C)n1 |$;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;$|
Show InChI InChI=1S/C21H25N5O3/c1-13(2)11-29-12-15-7-4-6-14(24-15)10-23-20(27)19-16-8-5-9-17(28-3)18(16)25-21(22)26-19/h4-9,13H,10-12H2,1-3H3,(H,23,27)(H2,22,25,26)
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KEGG

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PC cid
PC sid
UniChem
US Patent
 1.90n/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 US10138212 (2018)


BindingDB Entry DOI: 10.7270/Q2WM1GGB
More data for this
Ligand-Target Pair