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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 = 'BDBM50367862'   
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))		BDBM50367862
PNG
(CHEMBL604353)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(Br)cc5)cc4)cc3)ncnc12 |r|
Show InChI InChI=1S/C35H36BrN9O6S/c36-22-5-11-25(12-6-22)44-35(52)38-14-13-37-27(47)15-20-1-7-23(8-2-20)42-28(48)16-21-3-9-24(10-4-21)43-32-29-33(40-18-39-32)45(19-41-29)34-31(50)30(49)26(17-46)51-34/h1-12,18-19,26,30-31,34,46,49-50H,13-17H2,(H,37,47)(H,42,48)(H2,38,44,52)(H,39,40,43)/t26-,30-,31-,34?/m1/s1
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Similars
PubMed
 1.20n/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