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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 = 'BDBM50238386'   
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


(Homo sapiens (Human))		BDBM50238386
PNG
(CHEMBL4068548)
Show SMILES Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1cccc(O)c1
Show InChI InChI=1S/C17H13N5O2/c18-15-16-20-22(12-6-2-1-3-7-12)17(24)21(16)10-14(19-15)11-5-4-8-13(23)9-11/h1-10,23H,(H2,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
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UniChem

Similars
Article
PubMed
 3.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine receptor A2A expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting method

J Med Chem 60: 5772-5790 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00457
BindingDB Entry DOI: 10.7270/Q21V5H87
More data for this
Ligand-Target Pair