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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 = 'BDBM50163421'   
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


(Rattus norvegicus (rat))		BDBM50163421
PNG
(CHEMBL361229 | N*5*-[(R)-1-(3,5-Dimethyl-isoxazol-...)
Show SMILES Cc1noc(C)c1CN1CCC[C@@H]1CNc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C19H23N9O2/c1-11-14(12(2)30-26-11)10-27-7-3-5-13(27)9-21-18-23-17(20)28-19(24-18)22-16(25-28)15-6-4-8-29-15/h4,6,8,13H,3,5,7,9-10H2,1-2H3,(H3,20,21,22,23,24,25)/t13-/m1/s1
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Article
PubMed
 516n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue

J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair