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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 = 'BDBM50179045'   
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))		BDBM50179045
PNG
(1-(3-chlorophenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1S/C27H24ClN7O5/c1-2-29-25(38)22-20(36)21(37)26(40-22)35-14-30-19-23(34-27(39)31-17-10-6-9-16(28)13-17)32-18(33-24(19)35)12-11-15-7-4-3-5-8-15/h3-10,13-14,20-22,26,36-37H,2H2,1H3,(H,29,38)(H2,31,32,33,34,39)/t20-,21+,22-,26+/m0/s1
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Similars
Article
PubMed
 1.33E+3n/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