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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 = 'BDBM25399'   
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))		BDBM25399
PNG
(Bivalent derivative, 18 | N-[5-(1-{9-[(2R,3R,4S,5R...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCOCCOCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
Show InChI InChI=1S/C25H35N7O9/c33-11-19-21(37)22(38)25(41-19)32-13-30-20-23(28-12-29-24(20)32)27-4-6-40-8-7-39-5-3-26-10-18(36)15-1-2-17(35)16(9-15)31-14-34/h1-2,9,12-14,18-19,21-22,25-26,33,35-38H,3-8,10-11H2,(H,31,34)(H,27,28,29)/t18?,19-,21-,22-,25-/m1/s1
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Similars
Article
PubMed
 1.91E+3 -32.3n/an/an/an/an/a7.422



Monash University



Assay Description
The displacement of [3H]DPCPX binding from the A1AR was determined using DDT1 MF-2 cell membranes. Nonspecific binding was determined in parallel ass...

J Med Chem 51: 6128-37 (2008)


Article DOI: 10.1021/jm800613s
BindingDB Entry DOI: 10.7270/Q26M3554
More data for this
Ligand-Target Pair