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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 = 'BDBM50367693'   
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))
BDBM50367693
PNG
(CHEMBL604607)
Show SMILES Cc1cccc(c1)C(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccc(C)c1 |r|
Show InChI InChI=1S/C26H29N5O4/c1-15-5-3-7-17(9-15)19(18-8-4-6-16(2)10-18)11-27-24-21-25(29-13-28-24)31(14-30-21)26-23(34)22(33)20(12-32)35-26/h3-10,13-14,19-20,22-23,26,32-34H,11-12H2,1-2H3,(H,27,28,29)/t20-,22-,23-,26?/m1/s1
PDB

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PC cid
PC sid
UniChem
PubMed
9.30n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


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


J Med Chem 31: 1282-5 (1988)


BindingDB Entry DOI: 10.7270/Q2KK9CCN
More data for this
Ligand-Target Pair