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SMILES: Nc1nc(C(=O)NCc2ccccc2-n2cccn2)c2cccc(F)c2n1

InChI Key: InChIKey=SYOBOQUGDGVGIV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 303298   
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))		BDBM303298
PNG
(2-amino-8-fluoro-N-[(2- pyrazol-1- ylphenyl)methyl...)
Show SMILES Nc1nc(C(=O)NCc2ccccc2-n2cccn2)c2cccc(F)c2n1 |$;;;;;;HN;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C19H15FN6O/c20-14-7-3-6-13-16(14)24-19(21)25-17(13)18(27)22-11-12-5-1-2-8-15(12)26-10-4-9-23-26/h1-10H,11H2,(H,22,27)(H2,21,24,25)
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
UniChem
US Patent
 0.5n/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 US10138212 (2018)


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