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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 = 'BDBM50317893'   
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))		BDBM50317893
PNG
(CHEMBL1095001 | N6-[4-(4-(3,5-Di-tert-butyl-4-hydr...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(NC(=O)CCC(=O)NCCc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 |r|
Show InChI InChI=1S/C38H50N8O7/c1-37(2,3)24-16-22(17-25(29(24)49)38(4,5)6)14-15-40-26(47)12-13-27(48)45-23-10-8-21(9-11-23)18-41-33-28-34(43-19-42-33)46(20-44-28)36-31(51)30(50)32(53-36)35(52)39-7/h8-11,16-17,19-20,30-32,36,49-51H,12-15,18H2,1-7H3,(H,39,52)(H,40,47)(H,45,48)(H,41,42,43)/t30-,31+,32-,36+/m0/s1
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Similars
Article
PubMed
 42.1n/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