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PubMed code 24863744

Compile data set for download or QSAR
Found 15 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
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
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104n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2B receptor (unknown origin)


Bioorg Med Chem Lett 24: 3088-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.016
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
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195n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT7 receptor (unknown origin)


Bioorg Med Chem Lett 24: 3088-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.016
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
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220n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 3088-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.016
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
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257n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin)


Bioorg Med Chem Lett 24: 3088-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.016
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
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286n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha 1A receptor (unknown origin)


Bioorg Med Chem Lett 24: 3088-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.016
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
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293n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha 1D receptor (unknown origin)


Bioorg Med Chem Lett 24: 3088-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.016
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
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407n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha 2A receptor (unknown origin)


Bioorg Med Chem Lett 24: 3088-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.016
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
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446n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha 2C receptor (unknown origin)


Bioorg Med Chem Lett 24: 3088-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.016
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Binding affinity to cannabinoid CB2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 3088-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.016
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 3088-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.016
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Binding affinity to cannabinoid CB1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 3088-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.016
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A2A receptor (unknown origin)


Bioorg Med Chem Lett 24: 3088-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.016
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Binding affinity to SST4 receptor (unknown origin)


Bioorg Med Chem Lett 24: 3088-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.016
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Binding affinity to SST2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 3088-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.016
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A3 receptor (unknown origin)


Bioorg Med Chem Lett 24: 3088-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.016
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%