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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 = 'BDBM50263199'   
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))		BDBM50263199
PNG
(CHEMBL4076565)
Show SMILES CC(=O)Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C43H42F3N7O7S/c1-24(55)52-41-32(34(56)25-10-5-4-6-11-25)31(28-12-9-13-29(20-28)43(44,45)46)37(61-41)26-14-16-27(17-15-26)40(59)48-19-8-3-2-7-18-47-38-33-39(50-22-49-38)53(23-51-33)42-36(58)35(57)30(21-54)60-42/h4-6,9-17,20,22-23,30,35-36,42,54,57-58H,2-3,7-8,18-19,21H2,1H3,(H,48,59)(H,52,55)(H,47,49,50)/t30-,35-,36-,42-/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 A3AR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 10 mins...

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