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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 = 'BDBM50317888'   
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))		BDBM50317888
PNG
(CHEMBL1094996 | N6-[4-[2-[3,4,5-Trimethoxybenzamid...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCNC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)ncnc12 |r|
Show InChI InChI=1S/C29H33N7O8/c1-30-28(40)24-21(37)22(38)29(44-24)36-14-34-20-25(32-13-33-26(20)36)35-17-7-5-15(6-8-17)9-10-31-27(39)16-11-18(41-2)23(43-4)19(12-16)42-3/h5-8,11-14,21-22,24,29,37-38H,9-10H2,1-4H3,(H,30,40)(H,31,39)(H,32,33,35)/t21-,22+,24-,29+/m0/s1
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Similars
Article
PubMed
 26.2n/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