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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2' and Ligand = 'BDBM50316210'   
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 A2


(Homo sapiens (Human))
BDBM50316210
PNG
(6-(2,2-diphenylethylamino)-9-((2R,3R,4S,5S)-5-(eth...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCc1ccccn1
Show InChI InChI=1S/C36H40N10O6/c1-2-37-33(49)29-27(47)28(48)35(52-29)46-21-43-26-30(41-20-25(22-11-5-3-6-12-22)23-13-7-4-8-14-23)44-31(45-32(26)46)34(50)39-17-18-40-36(51)42-19-24-15-9-10-16-38-24/h3-16,21,25,27-29,35,47-48H,2,17-20H2,1H3,(H,37,49)(H,39,50)(H2,40,42,51)(H,41,44,45)/t27-,28+,29-,35+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in fMLP-stimulated human neutrophils assessed as inhibition of superoxide production by colorimetric analy...


Bioorg Med Chem Lett 19: 4471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.027
BindingDB Entry DOI: 10.7270/Q2ST7Q0C
More data for this
Ligand-Target Pair