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SMILES: COc1cccc2c3nc(nn3c(N)nc12)[C@@H]1CCCN(Cc2cc(F)cc(c2)C(F)(F)F)C1

InChI Key: InChIKey=SRDVDMWPMOTPDG-CQSZACIVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 471673   
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))		BDBM471673
PNG
(2-((3R)-1-[3-fluoro-5- (trifluoromethyl)benzyl) pi...)
Show SMILES COc1cccc2c3nc(nn3c(N)nc12)[C@@H]1CCCN(Cc2cc(F)cc(c2)C(F)(F)F)C1 |r|
Show InChI InChI=1S/C23H22F4N6O/c1-34-18-6-2-5-17-19(18)29-22(28)33-21(17)30-20(31-33)14-4-3-7-32(12-14)11-13-8-15(23(25,26)27)10-16(24)9-13/h2,5-6,8-10,14H,3-4,7,11-12H2,1H3,(H2,28,29)/t14-/m1/s1
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PC cid
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US Patent
 2n/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