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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 = 'BDBM50009528'   
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))		BDBM50009528
PNG
(CHEMBL2374415 | [2-(4-{2-[6-Amino-9-(3,4-dihydroxy...)
Show SMILES Nc1nc(NCCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H26N6O4/c21-17-14-18(26(11-23-14)19-16(29)15(28)13(10-27)30-19)25-20(24-17)22-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,11,13,15-16,19,27-29H,4-5,8-10H2,(H3,21,22,24,25)/t13-,15-,16-,19-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 112n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor

J Med Chem 34: 2570-9 (1991)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair