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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50009606   
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))
BDBM50011297
PNG
(CHEMBL3260729 | US9029393, 14)
Show SMILES Fc1ccc2ncc(C(=O)c3ccc(cc3)C(=O)N3CCCCCC3)n2c1
Show InChI InChI=1S/C21H20FN3O2/c22-17-9-10-19-23-13-18(25(19)14-17)20(26)15-5-7-16(8-6-15)21(27)24-11-3-1-2-4-12-24/h5-10,13-14H,1-4,11-12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of GFP-tagged human A2A adenosine receptor expressed in HEK cells by FRET-binding assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
BindingDB Entry DOI: 10.7270/Q2H41VXG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50011297
PNG
(CHEMBL3260729 | US9029393, 14)
Show SMILES Fc1ccc2ncc(C(=O)c3ccc(cc3)C(=O)N3CCCCCC3)n2c1
Show InChI InChI=1S/C21H20FN3O2/c22-17-9-10-19-23-13-18(25(19)14-17)20(26)15-5-7-16(8-6-15)21(27)24-11-3-1-2-4-12-24/h5-10,13-14H,1-4,11-12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of GFP-tagged human A2A adenosine receptor expressed in HEK cells by FRET-binding assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
BindingDB Entry DOI: 10.7270/Q2H41VXG
More data for this
Ligand-Target Pair