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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50221680'   
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 A1


(Rattus norvegicus (rat))		BDBM50221680
PNG
(9-(2-(1H-indol-3-yl)ethyl)-1,3-dipropyl-6,7,8,9-te...)
Show SMILES CCCn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C24H30N6O2/c1-3-11-29-21-20(22(31)30(12-4-2)24(29)32)28-14-7-13-27(23(28)26-21)15-10-17-16-25-19-9-6-5-8-18(17)19/h5-6,8-9,16,25H,3-4,7,10-15H2,1-2H3
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Similars
Article
PubMed
 1.79E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair