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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2' and Ligand = 'BDBM21208'   
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 A2


(Homo sapiens (Human))
BDBM21208
PNG
(2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5...)
Show SMILES CCN(CC)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C24H33N7O2/c1-6-30(7-2)19-10-11-29(14-19)15-23(32)25-21-13-22(31-17(4)12-16(3)28-31)27-24(26-21)20-9-8-18(5)33-20/h8-9,12-13,19H,6-7,10-11,14-15H2,1-5H3,(H,25,26,27,32)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.40 -47.2n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...


J Med Chem 51: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair