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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine A2 receptor' and Ligand = 'BDBM50421979'   
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 A2 receptor


(Homo sapiens (Human))
BDBM50421979
PNG
(CHEMBL607585)
Show SMILES CCCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:4.3|
Show InChI InChI=1S/C14H21N7O4/c1-2-3-4-17-20-14-18-11(15)8-12(19-14)21(6-16-8)13-10(24)9(23)7(5-22)25-13/h6-7,9-10,13,22-24H,2-5H2,1H3,(H2,15,18,19)/t7-,9-,10-,13?/m1/s1
PDB

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 2.90n/an/an/an/a



University of South Florida

Curated by ChEMBL




J Med Chem 35: 4557-61 (1993)


BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair