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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 = 'BDBM50017980'   
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))		BDBM50017980
PNG
(CHEMBL275232 | N-(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNC(=S)Nc2ccc(cc2)N=C=S)cc1
Show InChI InChI=1S/C31H35N9O5S2/c1-3-15-39-28-26(29(43)40(16-4-2)31(39)44)37-27(38-28)20-5-11-23(12-6-20)45-18-25(42)33-14-13-32-24(41)17-34-30(47)36-22-9-7-21(8-10-22)35-19-46/h5-12H,3-4,13-18H2,1-2H3,(H,32,41)(H,33,42)(H,37,38)(H2,34,36,47)
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Similars
PubMed
 6.90n/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