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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 = 'BDBM50372023'   
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))
BDBM50372023
PNG
(CHEMBL403478)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C34H42N8O5/c1-2-35-32(45)28-26(43)27(44)34(47-28)42-21-38-25-29(37-20-24(22-12-6-3-7-13-22)23-14-8-4-9-15-23)39-30(40-31(25)42)33(46)36-16-19-41-17-10-5-11-18-41/h3-4,6-9,12-15,21,24,26-28,34,43-44H,2,5,10-11,16-20H2,1H3,(H,35,45)(H,36,46)(H,37,39,40)/t26-,27+,28-,34+/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 9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 18: 1284-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.033
BindingDB Entry DOI: 10.7270/Q22808F4
More data for this
Ligand-Target Pair