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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a/A2b' and Ligand = 'BDBM50367500'   
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/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50367500
PNG
(CHEMBL608798)
Show SMILES CCc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C18H21N5O4/c1-2-10-3-5-11(6-4-10)22-16-13-17(20-8-19-16)23(9-21-13)18-15(26)14(25)12(7-24)27-18/h3-6,8-9,12,14-15,18,24-26H,2,7H2,1H3,(H,19,20,22)/t12-,14-,15-,18?/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 960n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membrane

J Med Chem 30: 954-6 (1987)


BindingDB Entry DOI: 10.7270/Q2PN967D
More data for this
Ligand-Target Pair