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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 = 'BDBM50367692'   
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))
BDBM50367692
PNG
(CHEMBL604402)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3cc(Cl)cc(Cl)c3)ncnc12 |r|
Show InChI InChI=1S/C24H23Cl2N5O4/c25-15-6-14(7-16(26)8-15)17(13-4-2-1-3-5-13)9-27-22-19-23(29-11-28-22)31(12-30-19)24-21(34)20(33)18(10-32)35-24/h1-8,11-12,17-18,20-21,24,32-34H,9-10H2,(H,27,28,29)/t17?,18-,20-,21-,24?/m1/s1
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Similars

PubMed
18n/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