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PubMed code 15203136

Compile data set for download or QSAR
Found 39 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
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity for nicotinic acetylcholine receptor alpha4-beta2


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50148873
PNG
(CHEMBL123935 | Dimethyl-(5,6,7,8-tetrahydro-isoqui...)
Show SMILES CN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C11H16N2/c1-13(2)11-5-3-4-9-6-7-12-8-10(9)11/h6-8,11H,3-5H2,1-2H3
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330n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity for nicotinic acetylcholine receptor alpha4-beta2


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50119559
PNG
(CHEMBL331904 | Dimethyl-pyridin-3-ylmethyl-amine |...)
Show SMILES CN(C)Cc1cccnc1
Show InChI InChI=1S/C8H12N2/c1-10(2)7-8-4-3-5-9-6-8/h3-6H,7H2,1-2H3
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540n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity for nicotinic acetylcholine receptor alpha4-beta2


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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930n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity for nicotinic acetylcholine receptor alpha4-beta2


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human dopamine receptor D5


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human 5-hydroxytryptamine 1A serotonin receptor


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for peripheral benzodiazepine receptor


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50148875
PNG
(8-Pyrrolidin-1-yl-5,6,7,8-tetrahydro-isoquinoline;...)
Show SMILES C1CCN(C1)C1CCCc2ccncc12
Show InChI InChI=1S/C13H18N2/c1-2-9-15(8-1)13-5-3-4-11-6-7-14-10-12(11)13/h6-7,10,13H,1-5,8-9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards kappa opioid receptor


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50148872
PNG
(CHEMBL331398 | Propyl-(5,6,7,8-tetrahydro-isoquino...)
Show SMILES CCCNC1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-2-7-14-12-5-3-4-10-6-8-13-9-11(10)12/h6,8-9,12,14H,2-5,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity for nicotinic acetylcholine receptor alpha4-beta2


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human adenosine A3 receptor


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human adenosine A1 receptor


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards opioid receptor mu 1


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human beta-1 adrenergic receptor


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human Dopamine receptor D1


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human dopamine receptor D2


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50148874
PNG
(CHEMBL331116 | Methyl-(5,6,7,8-tetrahydro-isoquino...)
Show SMILES CNC1CCCc2ccncc12
Show InChI InChI=1S/C10H14N2/c1-11-10-4-2-3-8-5-6-12-7-9(8)10/h5-7,10-11H,2-4H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity for nicotinic acetylcholine receptor alpha4-beta2


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50148870
PNG
(5,6,7,8-Tetrahydro-isoquinolin-8-ylamine; 5Moles o...)
Show SMILES NC1CCCc2ccncc12
Show InChI InChI=1S/C9H12N2/c10-9-3-1-2-7-4-5-11-6-8(7)9/h4-6,9H,1-3,10H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human 5-hydroxytryptamine 1B serotonin receptor


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human Muscarinic acetylcholine receptor M5


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human 5-hydroxytryptamine 7 serotonin receptor


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human 5-hydroxytryptamine 5A serotonin receptor


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human 5-hydroxytryptamine 2C serotonin receptor


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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UniChem
Article
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards histamine H1 receptor


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human dopamine receptor D3


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human dopamine receptor D4


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human 5-hydroxytryptamine 6 serotonin receptor


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards histamine H2 receptor


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50148871
PNG
(CHEMBL123170 | Methyl-propyl-(5,6,7,8-tetrahydro-i...)
Show SMILES CCCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C13H20N2/c1-3-9-15(2)13-6-4-5-11-7-8-14-10-12(11)13/h7-8,10,13H,3-6,9H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity for nicotinic acetylcholine receptor alpha4-beta2


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human 5-hydroxytryptamine 2B serotonin receptor


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human beta-2 adrenergic receptor


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards opioid receptor delta 1


Bioorg Med Chem Lett 14: 3651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.020
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%