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Compile Data Set for Download or QSAR

Found 1 hit of kd for drug = Acetaminophen, Aspirin And Caffeine   
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


(Homo sapiens (human))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
PDB

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GoogleScholar
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Purchase

CHEMBL
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KEGG
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PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
n/an/an/a 4.50E+4n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Dissociation constant against Adenosine A1 receptor


J Med Chem 48: 2026-35 (2005)


Article DOI: 10.1021/jm040842z
BindingDB Entry DOI: 10.7270/Q2J67HQX
More data for this
Ligand-Target Pair