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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 = 'BDBM50317881'   
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))		BDBM50317881
PNG
(CHEMBL1099127 | N6-(1,1,3,3-Tetramethylisoindolin-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc4c(c3)C(C)(C)N(O)C4(C)C)ncnc12 |r|
Show InChI InChI=1S/C24H31N7O5/c1-23(2)13-7-6-12(8-14(13)24(3,4)31(23)35)9-26-19-15-20(28-10-27-19)30(11-29-15)22-17(33)16(32)18(36-22)21(34)25-5/h6-8,10-11,16-18,22,32-33,35H,9H2,1-5H3,(H,25,34)(H,26,27,28)/t16-,17+,18-,22+/m0/s1
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Similars
Article
PubMed
 1.29E+3n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from human recombinant adenosine A1 receptor by rapid filtration technique

Bioorg Med Chem 18: 3078-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.047
BindingDB Entry DOI: 10.7270/Q2X63N4V
More data for this
Ligand-Target Pair