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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 = 'BDBM50367865'   
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))		BDBM50367865
PNG
(CHEMBL603937)
Show SMILES Cc1ccc(NC(=S)NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5n(cnc45)C4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C36H39N9O6S/c1-21-2-8-26(9-3-21)44-36(52)38-15-14-37-28(47)16-22-4-10-24(11-5-22)42-29(48)17-23-6-12-25(13-7-23)43-33-30-34(40-19-39-33)45(20-41-30)35-32(50)31(49)27(18-46)51-35/h2-13,19-20,27,31-32,35,46,49-50H,14-18H2,1H3,(H,37,47)(H,42,48)(H2,38,44,52)(H,39,40,43)/t27-,31-,32-,35?/m1/s1
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Similars
PubMed
 3.70n/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