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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 = 'BDBM50367414'   
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))		BDBM50367414
PNG
(CHEMBL606073)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCC(c3ccccc3)c3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C25H27N5O4/c31-13-19-21(32)22(33)25(34-19)30-15-29-20-23(27-14-28-24(20)30)26-12-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,14-15,18-19,21-22,25,31-33H,11-13H2,(H,26,27,28)/t19-,21-,22-,25?/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 290n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL


Assay Description
Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...

J Med Chem 30: 1709-11 (1987)


BindingDB Entry DOI: 10.7270/Q2SJ1M5B
More data for this
Ligand-Target Pair