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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50088468'   
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 A3


(Homo sapiens (Human))
BDBM50088468
PNG
(1-(2-Furan-2-yl-quinazolin-4-yl)-3-phenyl-urea | C...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C19H14N4O2/c24-19(20-13-7-2-1-3-8-13)23-17-14-9-4-5-10-15(14)21-18(22-17)16-11-6-12-25-16/h1-12H,(H2,20,21,22,23,24)
PDB

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PC cid
PC sid
UniChem
PubMed
2.57E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells


J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair