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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50263180'   
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 A2b


(Homo sapiens (Human))		BDBM50263180
PNG
(CHEMBL4081224)
Show SMILES Nc1cc(c(s1)-c1ccc(cc1)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C34H36F3N7O5S/c35-34(36,37)22-7-5-6-21(14-22)23-15-25(38)50-29(23)19-8-10-20(11-9-19)32(48)40-13-4-2-1-3-12-39-30-26-31(42-17-41-30)44(18-43-26)33-28(47)27(46)24(16-45)49-33/h5-11,14-15,17-18,24,27-28,33,45-47H,1-4,12-13,16,38H2,(H,40,48)(H,39,41,42)/t24-,27-,28-,33-/m1/s1
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Similars
Article
PubMed
n/an/an/an/a 447n/an/an/an/a



Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences , Monash University , Parkville , Victoria 3052 , Australia.

Curated by ChEMBL


Assay Description
Agonist activity at human A2BAR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 40 min...

J Med Chem 61: 2087-2103 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00047
BindingDB Entry DOI: 10.7270/Q21J9D7Z
More data for this
Ligand-Target Pair