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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 = 'BDBM50496139'   
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


(Homo sapiens (Human))		BDBM50496139
PNG
(CHEMBL3121732)
Show SMILES Cn1c2nc(Cc3ccc(OCCCN4CCC5(CC4)OCCO5)cc3)[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H31N5O5/c1-27-21-20(22(30)28(2)23(27)31)25-19(26-21)16-17-4-6-18(7-5-17)32-13-3-10-29-11-8-24(9-12-29)33-14-15-34-24/h4-7H,3,8-16H2,1-2H3,(H,25,26)
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PC cid
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Article
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>30n/an/an/an/an/an/an/an/a



Panjab University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis

Eur J Med Chem 75: 327-35 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.045
BindingDB Entry DOI: 10.7270/Q20R9SC2
More data for this
Ligand-Target Pair