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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 = 'BDBM50083509'   
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))
BDBM50083509
PNG
(CHEMBL3423402)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1S/C44H59N9O5/c45-21-8-7-15-35(41(46)55)50-43(57)36(25-29-26-48-33-13-5-3-11-30(29)33)51-44(58)38-16-10-23-53(38)39(54)17-2-1-9-22-47-42(56)28-18-19-37-40-32(20-24-52(37)27-28)31-12-4-6-14-34(31)49-40/h3-6,11-14,26,28,35-38,48-49H,1-2,7-10,15-25,27,45H2,(H2,46,55)(H,47,56)(H,50,57)(H,51,58)/t28-,35-,36-,37+,38-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 4.40E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from adenosine A2 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation counti...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair