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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 = 'BDBM50088461'   
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))
BDBM50088461
PNG
(1-(3-Methoxy-phenyl)-3-(2-phenyl-quinazolin-4-yl)-...)
Show SMILES COc1cccc(NC(=O)Nc2nc(nc3ccccc23)-c2ccccc2)c1
Show InChI InChI=1S/C22H18N4O2/c1-28-17-11-7-10-16(14-17)23-22(27)26-21-18-12-5-6-13-19(18)24-20(25-21)15-8-3-2-4-9-15/h2-14H,1H3,(H2,23,24,25,26,27)
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PC sid
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Similars

PubMed
2.04E+6n/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