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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 = 'BDBM50317886'   
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))		BDBM50317886
PNG
(CHEMBL1094994 | N6-[4-[2-[3,5-Di-tert-butyl-4-hydr...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCNC(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 |r|
Show InChI InChI=1S/C34H43N7O6/c1-33(2,3)21-14-19(15-22(24(21)42)34(4,5)6)30(45)36-13-12-18-8-10-20(11-9-18)40-28-23-29(38-16-37-28)41(17-39-23)32-26(44)25(43)27(47-32)31(46)35-7/h8-11,14-17,25-27,32,42-44H,12-13H2,1-7H3,(H,35,46)(H,36,45)(H,37,38,40)/t25-,26+,27-,32+/m0/s1
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Similars
Article
PubMed
 243n/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