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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 = 'BDBM50214402'   
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))
BDBM50214402
PNG
((6aR,9R)-N-((S)-1-((S)-1-(3-carbamoylpiperidin-1-y...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1CCCC(C1)C(N)=O
Show InChI InChI=1S/C37H52N6O4/c1-22(2)33(41-35(45)26-17-28-27-12-7-13-29-32(27)25(19-39-29)18-31(28)42(3)20-26)36(46)40-30(15-14-23-9-5-4-6-10-23)37(47)43-16-8-11-24(21-43)34(38)44/h7,12-13,17,19,22-24,26,30-31,33,39H,4-6,8-11,14-16,18,20-21H2,1-3H3,(H2,38,44)(H,40,46)(H,41,45)/t24?,26-,30+,31-,33+/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 5.00E+4n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS 21680 from adenosine A2A receptor in lamb striatum membrane after 2 hrs


J Med Chem 50: 3062-9 (2007)

More data for this
Ligand-Target Pair