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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 = 'BDBM50367866'   
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


(Rattus norvegicus (rat))		BDBM50367866
PNG
(CHEMBL603923)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)ON4C(=O)CCC4=O)cc3)ncnc12 |r|
Show InChI InChI=1S/C22H22N6O8/c29-8-13-18(33)19(34)22(35-13)27-10-25-17-20(23-9-24-21(17)27)26-12-3-1-11(2-4-12)7-16(32)36-28-14(30)5-6-15(28)31/h1-4,9-10,13,18-19,22,29,33-34H,5-8H2,(H,23,24,26)/t13-,18-,19-,22?/m1/s1
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Similars
PubMed
 8.40n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair