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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine Receptors A2a (A2a)' and Ligand = 'BDBM50088245'   
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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50088245
PNG
(4-[6-Amino-2-(4-formyl-phenylethynyl)-purin-9-yl]-...)
Show SMILES CCNC(=O)[C@H]1CC([C@H](OC)[C@@H]1OC)n1cnc2c(N)nc(nc12)C#Cc1ccc(C=O)cc1
Show InChI InChI=1S/C24H26N6O4/c1-4-26-24(32)16-11-17(21(34-3)20(16)33-2)30-13-27-19-22(25)28-18(29-23(19)30)10-9-14-5-7-15(12-31)8-6-14/h5-8,12-13,16-17,20-21H,4,11H2,1-3H3,(H,26,32)(H2,25,28,29)/t16-,17?,20+,21-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
6.30n/an/an/an/an/an/an/an/a



NeoGenesis, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A2A receptor


J Med Chem 43: 1993-2006 (2000)


Article DOI: 10.1021/jm990504b
BindingDB Entry DOI: 10.7270/Q2MP53ZS
More data for this
Ligand-Target Pair