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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 = 'BDBM50179036'   
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))		BDBM50179036
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C29H29N7O7/c1-3-30-27(40)24-22(38)23(39)28(43-24)36-15-31-21-25(35-29(41)32-17-9-11-18(42-2)12-10-17)33-20(34-26(21)36)14-13-19(37)16-7-5-4-6-8-16/h4-12,15,19,22-24,28,37-39H,3H2,1-2H3,(H,30,40)(H2,32,33,34,35,41)/t19?,22-,23+,24-,28+/m0/s1
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Similars
Article
PubMed
 75n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.

J Med Chem 41: 3174-85 (1998)


Article DOI: 10.1021/jm980147p
BindingDB Entry DOI: 10.7270/Q2765G10
More data for this
Ligand-Target Pair