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SMILES: Nc1nc(C(=O)NCc2cccc(n2)-c2ccccn2)c2cccc(F)c2n1

InChI Key: InChIKey=LMDCKJWVCWRHCO-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 303299   
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))		BDBM303299
PNG
(2-amino-8-fluoro-N-[[6- (2-pyridyl)-2- pyridyl]met...)
Show SMILES Nc1nc(C(=O)NCc2cccc(n2)-c2ccccn2)c2cccc(F)c2n1 |$;;;;;;HN;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C20H15FN6O/c21-14-7-4-6-13-17(14)26-20(22)27-18(13)19(28)24-11-12-5-3-9-16(25-12)15-8-1-2-10-23-15/h1-10H,11H2,(H,24,28)(H2,22,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
 0.800n/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