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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 = 'BDBM50187664'   
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))		BDBM50187664
PNG
(CHEMBL3828555)
Show SMILES CCCCn1c2nc3N(CCc4ccc(OCCN5CCOCC5)cc4)CCCn3c2c(=O)n(CCCC)c1=O
Show InChI InChI=1S/C30H44N6O4/c1-3-5-14-35-27-26(28(37)36(30(35)38)15-6-4-2)34-16-7-13-33(29(34)31-27)17-12-24-8-10-25(11-9-24)40-23-20-32-18-21-39-22-19-32/h8-11H,3-7,12-23H2,1-2H3
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Article
PubMed
 172n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 24: 4347-4362 (2016)


Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5
More data for this
Ligand-Target Pair