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PubMed code 17381154

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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 A2a


(Rattus norvegicus (rat))
BDBM50208945
PNG
(CHEMBL224024 | N6-(4-hydroxybenzyl)adenine ribosid...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(O)cc3)ncnc12 |r|
Show InChI InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(24)4-2-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
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MCE
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Article
PubMed
2.62E+3n/an/an/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A2A receptor in rat brain striatum


J Nat Prod 70: 571-4 (2007)


Article DOI: 10.1021/np0605182
BindingDB Entry DOI: 10.7270/Q2MW2GTG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50208946
PNG
(CHEMBL224380 | bis(4-hydroxybenzyl)sulfide)
Show SMILES Oc1ccc(CSCc2ccc(O)cc2)cc1
Show InChI InChI=1S/C14H14O2S/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8,15-16H,9-10H2
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PubMed
2.41E+4n/an/an/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A2A receptor in rat brain striatum


J Nat Prod 70: 571-4 (2007)


Article DOI: 10.1021/np0605182
BindingDB Entry DOI: 10.7270/Q2MW2GTG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50208945
PNG
(CHEMBL224024 | N6-(4-hydroxybenzyl)adenine ribosid...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(O)cc3)ncnc12 |r|
Show InChI InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(24)4-2-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
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PubMed
n/an/a 4.66E+3n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A2A receptor in rat brain striatum


J Nat Prod 70: 571-4 (2007)


Article DOI: 10.1021/np0605182
BindingDB Entry DOI: 10.7270/Q2MW2GTG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50208946
PNG
(CHEMBL224380 | bis(4-hydroxybenzyl)sulfide)
Show SMILES Oc1ccc(CSCc2ccc(O)cc2)cc1
Show InChI InChI=1S/C14H14O2S/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8,15-16H,9-10H2
PDB
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PubMed
n/an/a 4.29E+4n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A2A receptor in rat brain striatum


J Nat Prod 70: 571-4 (2007)


Article DOI: 10.1021/np0605182
BindingDB Entry DOI: 10.7270/Q2MW2GTG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%