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PubMed code 20681583

Compile data set for download or QSAR
Found 7 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
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50326197
PNG
(1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...)
Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O
Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)
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PubMed
497n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1D receptor


J Med Chem 53: 6089-99 (2010)


Article DOI: 10.1021/jm100490m
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50326197
PNG
(1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...)
Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O
Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)
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758n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1B receptor


J Med Chem 53: 6089-99 (2010)


Article DOI: 10.1021/jm100490m
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50326197
PNG
(1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...)
Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O
Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)
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885n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor


J Med Chem 53: 6089-99 (2010)


Article DOI: 10.1021/jm100490m
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50326197
PNG
(1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...)
Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O
Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)
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1.80E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


J Med Chem 53: 6089-99 (2010)


Article DOI: 10.1021/jm100490m
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50326197
PNG
(1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...)
Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O
Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)
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2.90E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1E receptor


J Med Chem 53: 6089-99 (2010)


Article DOI: 10.1021/jm100490m
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50326197
PNG
(1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...)
Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O
Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)
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PubMed
4.20E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity to nicotinic alpha3beta2 receptor receptor


J Med Chem 53: 6089-99 (2010)


Article DOI: 10.1021/jm100490m
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50326197
PNG
(1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...)
Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O
Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)
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8.90E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


J Med Chem 53: 6089-99 (2010)


Article DOI: 10.1021/jm100490m
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%