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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM561432'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM561432
PNG
(3-(4-amino-7-(4-methyloxazol-5-yl)-2-(1-(pyridin-2...)
Show SMILES CC(c1ccccn1)n1nc2c(N)nc(-c3cccc(c3)C#N)c(-c3ocnc3C)c2n1 |(5.85,-2.52,;5.08,-1.18,;5.85,.15,;5.08,1.48,;5.85,2.82,;7.39,2.82,;8.16,1.48,;7.39,.15,;3.54,-1.18,;2.64,-2.43,;1.17,-1.95,;-.16,-2.72,;-.16,-4.26,;-1.49,-1.95,;-1.49,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-4.16,-.41,;-6.83,-.41,;-8.16,-1.18,;-.16,.36,;-.16,1.9,;-1.41,2.8,;-.93,4.26,;.61,4.26,;1.09,2.8,;2.55,2.32,;1.17,-.41,;2.64,.06,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
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UniChem
US Patent
<10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Stably transfected HEK-293 cells expressing the human adenosine A2A receptor (Perkin Elmer) are maintained in MEM culture medium with 10% FBS and 400...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MK6H4B
More data for this
Ligand-Target Pair