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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 = 'BDBM50047159'   
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))		BDBM50047159
PNG
(1,3-Dimethyl-7-phenethyl-8-[2-(3,4,5-trimethoxy-ph...)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2CCc2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C26H28N4O5/c1-28-24-22(25(31)29(2)26(28)32)30(14-13-17-9-7-6-8-10-17)21(27-24)12-11-18-15-19(33-3)23(35-5)20(16-18)34-4/h6-12,15-16H,13-14H2,1-5H3/b12-11+
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Similars
PubMed
 32n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair