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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 = 'BDBM50367411'   
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))		BDBM50367411
PNG
(CHEMBL610070)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCC(c3ccccc3)c3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C26H29N5O4/c32-14-20-22(33)23(34)26(35-20)31-16-30-21-24(28-15-29-25(21)31)27-13-7-12-19(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,15-16,19-20,22-23,26,32-34H,7,12-14H2,(H,27,28,29)/t20-,22-,23-,26?/m1/s1
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Similars
PubMed
 290n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.

J Med Chem 30: 1709-11 (1987)


BindingDB Entry DOI: 10.7270/Q2SJ1M5B
More data for this
Ligand-Target Pair