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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a and A3' and Ligand = 'BDBM50290165'   
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 and A3


(Rattus norvegicus (rat))
BDBM50290165
PNG
(8-[(E)-2-(2,4-Dimethoxy-3-methyl-phenyl)-vinyl]-1,...)
Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(C)c3OC)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C21H26N4O4/c1-7-24-19-17(20(26)25(8-2)21(24)27)23(4)16(22-19)12-10-14-9-11-15(28-5)13(3)18(14)29-6/h9-12H,7-8H2,1-6H3/b12-10+
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
1.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from Adenosine A1 receptor of rat forebrain membranes


Bioorg Med Chem Lett 7: 2349-2352 (1997)


Article DOI: 10.1016/S0960-894X(97)00440-X
BindingDB Entry DOI: 10.7270/Q2PV6KB7
More data for this
Ligand-Target Pair