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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 = 'BDBM50534171'   
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))		BDBM50534171
PNG
(CHEMBL4461019)
Show SMILES COc1cccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)c1
Show InChI InChI=1S/C19H23N5O3/c1-21-17-16(18(25)22(2)19(21)26)24-10-9-23(12-15(24)20-17)8-7-13-5-4-6-14(11-13)27-3/h4-6,11H,7-10,12H2,1-3H3
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PC cid
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human A3 receptor expressed in CHO cell membrane by liquid scintillation counting method relative to control

Bioorg Med Chem 24: 5462-5480 (2016)


Article DOI: 10.1016/j.bmc.2016.09.003
BindingDB Entry DOI: 10.7270/Q2RB7836
More data for this
Ligand-Target Pair