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PubMed code 22959245

Compile data set for download or QSAR
Found 175 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
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50338990
PNG
(1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...)
Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
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4.60n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401369
PNG
(CHEMBL2205822)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCCCc1cccc(F)c1
Show InChI InChI=1S/C21H24FNO/c22-11-6-3-5-10(8-11)4-1-2-7-23-20-16-12-9-13-15-14(12)17(20)19(15)21(23,24)18(13)16/h3,5-6,8,12-20,24H,1-2,4,7,9H2
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5.5n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401366
PNG
(CHEMBL2205831)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CC1CCCCC1
Show InChI InChI=1S/C18H25NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h8-17,20H,1-7H2
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6.70n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401370
PNG
(CHEMBL2205821)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCCCc1ccccc1
Show InChI InChI=1S/C21H25NO/c23-21-18-13-10-12-14-15(13)19(21)17(14)20(16(12)18)22(21)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12-20,23H,4-5,8-10H2
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10n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401368
PNG
(CHEMBL2205813)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-5-3-4-9(20(12)25-2)6-7-22-19-15-10-8-11-14-13(10)16(19)18(14)21(22,23)17(11)15/h3-5,10-11,13-19,23H,6-8H2,1-2H3
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15n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401371
PNG
(CHEMBL2205820)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCCc1cccc(F)c1
Show InChI InChI=1S/C20H22FNO/c21-10-5-1-3-9(7-10)4-2-6-22-19-15-11-8-12-14-13(11)16(19)18(14)20(22,23)17(12)15/h1,3,5,7,11-19,23H,2,4,6,8H2
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15n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401376
PNG
(CHEMBL2205812)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3
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15n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401372
PNG
(CHEMBL2205819)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCCc1ccccc1
Show InChI InChI=1S/C20H23NO/c22-20-17-12-9-11-13-14(12)18(20)16(13)19(15(11)17)21(20)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-19,22H,4,7-9H2
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17n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401377
PNG
(CHEMBL2205835)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccc1
Show InChI InChI=1S/C19H21NO/c21-19-16-11-8-10-12-13(11)17(19)15(12)18(14(10)16)20(19)7-6-9-4-2-1-3-5-9/h1-5,10-18,21H,6-8H2
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26n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401374
PNG
(CHEMBL2205815)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccc2OCOc2c1
Show InChI InChI=1S/C20H21NO3/c22-20-17-10-6-9-13-14(10)18(20)16(13)19(15(9)17)21(20)4-3-8-1-2-11-12(5-8)24-7-23-11/h1-2,5,9-10,13-19,22H,3-4,6-7H2
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26n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50401376
PNG
(CHEMBL2205812)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3
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32n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M1 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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52n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401381
PNG
(CHEMBL2205826)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)c(OC)c1
Show InChI InChI=1S/C20H23NO3/c1-23-9-4-3-8(12(5-9)24-2)7-21-19-15-10-6-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h3-5,10-11,13-19,22H,6-7H2,1-2H3
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66n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401373
PNG
(CHEMBL2205818)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccncc1
Show InChI InChI=1S/C18H20N2O/c21-18-15-10-7-9-11-12(10)16(18)14(11)17(13(9)15)20(18)6-3-8-1-4-19-5-2-8/h1-2,4-5,9-17,21H,3,6-7H2
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68n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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69n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401375
PNG
(CHEMBL2205814)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-4-3-9(7-13(12)25-2)5-6-22-20-16-10-8-11-15-14(10)17(20)19(15)21(22,23)18(11)16/h3-4,7,10-11,14-20,23H,5-6,8H2,1-2H3
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101n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401384
PNG
(CHEMBL2205823)
Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3
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190n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401382
PNG
(CHEMBL2205825)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-8(3-5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3
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200n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50401359
PNG
(CHEMBL2205816)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccn1
Show InChI InChI=1S/C18H20N2O/c21-18-15-10-7-9-11-12(10)16(18)14(11)17(13(9)15)20(18)6-4-8-3-1-2-5-19-8/h1-3,5,9-17,21H,4,6-7H2
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209n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M3 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50401376
PNG
(CHEMBL2205812)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3
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216n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M2 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401363
PNG
(CHEMBL2205827)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C20H23NO3/c1-23-11-4-3-8(5-12(11)24-2)7-21-19-15-9-6-10-14-13(9)16(19)18(14)20(21,22)17(10)15/h3-5,9-10,13-19,22H,6-7H2,1-2H3
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228n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50401384
PNG
(CHEMBL2205823)
Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3
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313n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M1 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401383
PNG
(CHEMBL2205824)
Show SMILES COc1cccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-3-8(5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3
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327n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50288954
PNG
(11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1
Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2
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336n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M3 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50288954
PNG
(11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1
Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2
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337n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50401384
PNG
(CHEMBL2205823)
Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3
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360n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M3 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50401376
PNG
(CHEMBL2205812)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3
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400n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Histamine H2 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50401376
PNG
(CHEMBL2205812)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3
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407n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M3 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401367
PNG
(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
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435n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50401376
PNG
(CHEMBL2205812)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3
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470n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M4 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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472n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha1A adrenergic


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50288954
PNG
(11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1
Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2
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488n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50401384
PNG
(CHEMBL2205823)
Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3
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514n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M4 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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533n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha2C adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50401384
PNG
(CHEMBL2205823)
Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3
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536n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha1B adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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543n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M3 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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548n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to SERT


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50401384
PNG
(CHEMBL2205823)
Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3
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552n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M2 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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557n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha2C adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401380
PNG
(CHEMBL2205828)
Show SMILES COc1cc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc(OC)c1
Show InChI InChI=1S/C20H23NO3/c1-23-9-3-8(4-10(5-9)24-2)7-21-19-15-11-6-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h3-5,11-19,22H,6-7H2,1-2H3
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610n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50401382
PNG
(CHEMBL2205825)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-8(3-5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3
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617n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50401382
PNG
(CHEMBL2205825)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-8(3-5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3
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659n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M4 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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666n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M2 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50288954
PNG
(11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1
Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2
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682n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha2C adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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685n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M4 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50401384
PNG
(CHEMBL2205823)
Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3
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699n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha2C adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50401368
PNG
(CHEMBL2205813)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-5-3-4-9(20(12)25-2)6-7-22-19-15-10-8-11-14-13(10)16(19)18(14)21(22,23)17(11)15/h3-5,10-11,13-19,23H,6-8H2,1-2H3
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743n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Histamine H2 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401358
PNG
(CHEMBL2205817)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccnc1
Show InChI InChI=1S/C18H20N2O/c21-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)20(18)5-3-8-2-1-4-19-7-8/h1-2,4,7,9-17,21H,3,5-6H2
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815n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50288954
PNG
(11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1
Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2
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835n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M2 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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835n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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855n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2B receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50401359
PNG
(CHEMBL2205816)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccn1
Show InChI InChI=1S/C18H20N2O/c21-18-15-10-7-9-11-12(10)16(18)14(11)17(13(9)15)20(18)6-4-8-3-1-2-5-19-8/h1-3,5,9-17,21H,4,6-7H2
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872n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M2 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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924n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M5 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50401384
PNG
(CHEMBL2205823)
Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3
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931n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M5 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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948n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Histamine H2 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50401368
PNG
(CHEMBL2205813)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-5-3-4-9(20(12)25-2)6-7-22-19-15-10-8-11-14-13(10)16(19)18(14)21(22,23)17(11)15/h3-5,10-11,13-19,23H,6-8H2,1-2H3
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950n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50401359
PNG
(CHEMBL2205816)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccn1
Show InChI InChI=1S/C18H20N2O/c21-18-15-10-7-9-11-12(10)16(18)14(11)17(13(9)15)20(18)6-4-8-3-1-2-5-19-8/h1-3,5,9-17,21H,4,6-7H2
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956n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1B receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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977n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M4 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401365
PNG
(CHEMBL2205832)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccn1
Show InChI InChI=1S/C17H18N2O/c20-17-14-9-5-8-10-11(9)15(17)13(10)16(12(8)14)19(17)6-7-3-1-2-4-18-7/h1-4,8-16,20H,5-6H2
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1.05E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50401384
PNG
(CHEMBL2205823)
Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3
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1.09E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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1.11E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50401358
PNG
(CHEMBL2205817)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccnc1
Show InChI InChI=1S/C18H20N2O/c21-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)20(18)5-3-8-2-1-4-19-7-8/h1-2,4,7,9-17,21H,3,5-6H2
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1.12E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M4 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50401363
PNG
(CHEMBL2205827)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C20H23NO3/c1-23-11-4-3-8(5-12(11)24-2)7-21-19-15-9-6-10-14-13(9)16(19)18(14)20(21,22)17(10)15/h3-5,9-10,13-19,22H,6-7H2,1-2H3
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1.15E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha2C adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50401363
PNG
(CHEMBL2205827)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C20H23NO3/c1-23-11-4-3-8(5-12(11)24-2)7-21-19-15-9-6-10-14-13(9)16(19)18(14)20(21,22)17(10)15/h3-5,9-10,13-19,22H,6-7H2,1-2H3
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1.15E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50288954
PNG
(11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1
Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2
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1.16E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M5 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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1.17E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401359
PNG
(CHEMBL2205816)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccn1
Show InChI InChI=1S/C18H20N2O/c21-18-15-10-7-9-11-12(10)16(18)14(11)17(13(9)15)20(18)6-4-8-3-1-2-5-19-8/h1-3,5,9-17,21H,4,6-7H2
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1.17E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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1.22E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M2 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50401382
PNG
(CHEMBL2205825)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-8(3-5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3
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1.23E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M3 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50401363
PNG
(CHEMBL2205827)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C20H23NO3/c1-23-11-4-3-8(5-12(11)24-2)7-21-19-15-9-6-10-14-13(9)16(19)18(14)20(21,22)17(10)15/h3-5,9-10,13-19,22H,6-7H2,1-2H3
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1.23E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M4 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50401382
PNG
(CHEMBL2205825)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-8(3-5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3
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1.25E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M2 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50401363
PNG
(CHEMBL2205827)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C20H23NO3/c1-23-11-4-3-8(5-12(11)24-2)7-21-19-15-9-6-10-14-13(9)16(19)18(14)20(21,22)17(10)15/h3-5,9-10,13-19,22H,6-7H2,1-2H3
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1.27E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50401367
PNG
(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
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1.30E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M2 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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1.30E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha2A adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50401367
PNG
(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
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1.30E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M4 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50401368
PNG
(CHEMBL2205813)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-5-3-4-9(20(12)25-2)6-7-22-19-15-10-8-11-14-13(10)16(19)18(14)21(22,23)17(11)15/h3-5,10-11,13-19,23H,6-8H2,1-2H3
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1.35E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M2 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50401383
PNG
(CHEMBL2205824)
Show SMILES COc1cccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-3-8(5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3
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1.37E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha2C adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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1.40E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50288954
PNG
(11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1
Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2
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1.42E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M4 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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1.42E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50401367
PNG
(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
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1.43E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50401358
PNG
(CHEMBL2205817)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccnc1
Show InChI InChI=1S/C18H20N2O/c21-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)20(18)5-3-8-2-1-4-19-7-8/h1-2,4,7,9-17,21H,3,5-6H2
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1.49E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M2 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50401382
PNG
(CHEMBL2205825)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-8(3-5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3
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1.49E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha2C adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50401363
PNG
(CHEMBL2205827)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C20H23NO3/c1-23-11-4-3-8(5-12(11)24-2)7-21-19-15-9-6-10-14-13(9)16(19)18(14)20(21,22)17(10)15/h3-5,9-10,13-19,22H,6-7H2,1-2H3
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1.50E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M2 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401378
PNG
(CHEMBL2205834)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccncc1
Show InChI InChI=1S/C17H18N2O/c20-17-14-9-5-8-10-11(9)15(17)13(10)16(12(8)14)19(17)6-7-1-3-18-4-2-7/h1-4,8-16,20H,5-6H2
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1.50E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50401367
PNG
(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
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1.56E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M5 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50401376
PNG
(CHEMBL2205812)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3
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1.58E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50401367
PNG
(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
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1.61E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M3 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50401376
PNG
(CHEMBL2205812)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3
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1.70E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M5 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50401376
PNG
(CHEMBL2205812)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3
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1.70E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha2C adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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1.73E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M3 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50401363
PNG
(CHEMBL2205827)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C20H23NO3/c1-23-11-4-3-8(5-12(11)24-2)7-21-19-15-9-6-10-14-13(9)16(19)18(14)20(21,22)17(10)15/h3-5,9-10,13-19,22H,6-7H2,1-2H3
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1.73E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M3 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50401375
PNG
(CHEMBL2205814)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-4-3-9(7-13(12)25-2)5-6-22-20-16-10-8-11-15-14(10)17(20)19(15)21(22,23)18(11)16/h3-4,7,10-11,14-20,23H,5-6,8H2,1-2H3
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1.78E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Histamine H2 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50401367
PNG
(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
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1.78E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha2C adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50401359
PNG
(CHEMBL2205816)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccn1
Show InChI InChI=1S/C18H20N2O/c21-18-15-10-7-9-11-12(10)16(18)14(11)17(13(9)15)20(18)6-4-8-3-1-2-5-19-8/h1-3,5,9-17,21H,4,6-7H2
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1.84E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha2C adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50401375
PNG
(CHEMBL2205814)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-4-3-9(7-13(12)25-2)5-6-22-20-16-10-8-11-15-14(10)17(20)19(15)21(22,23)18(11)16/h3-4,7,10-11,14-20,23H,5-6,8H2,1-2H3
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1.87E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha2C adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50401368
PNG
(CHEMBL2205813)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-5-3-4-9(20(12)25-2)6-7-22-19-15-10-8-11-14-13(10)16(19)18(14)21(22,23)17(11)15/h3-5,10-11,13-19,23H,6-8H2,1-2H3
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2.08E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50401382
PNG
(CHEMBL2205825)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-8(3-5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3
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2.14E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50401368
PNG
(CHEMBL2205813)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-5-3-4-9(20(12)25-2)6-7-22-19-15-10-8-11-14-13(10)16(19)18(14)21(22,23)17(11)15/h3-5,10-11,13-19,23H,6-8H2,1-2H3
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2.25E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2B receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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2.26E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50401358
PNG
(CHEMBL2205817)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccnc1
Show InChI InChI=1S/C18H20N2O/c21-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)20(18)5-3-8-2-1-4-19-7-8/h1-2,4,7,9-17,21H,3,5-6H2
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2.27E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M3 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50401383
PNG
(CHEMBL2205824)
Show SMILES COc1cccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-3-8(5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3
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2.33E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50401368
PNG
(CHEMBL2205813)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-5-3-4-9(20(12)25-2)6-7-22-19-15-10-8-11-14-13(10)16(19)18(14)21(22,23)17(11)15/h3-5,10-11,13-19,23H,6-8H2,1-2H3
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2.34E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M4 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50344630
PNG
(CHEMBL1779058 | N-(4-(4-Fluoro)butyrophenone)-4-az...)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCCC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H22FNO2/c22-10-5-3-9(4-6-10)13(24)2-1-7-23-20-16-11-8-12-15-14(11)17(20)19(15)21(23,25)18(12)16/h3-6,11-12,14-20,25H,1-2,7-8H2
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2.37E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Histamine H1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50401358
PNG
(CHEMBL2205817)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccnc1
Show InChI InChI=1S/C18H20N2O/c21-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)20(18)5-3-8-2-1-4-19-7-8/h1-2,4,7,9-17,21H,3,5-6H2
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2.45E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT7 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50401365
PNG
(CHEMBL2205832)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccn1
Show InChI InChI=1S/C17H18N2O/c20-17-14-9-5-8-10-11(9)15(17)13(10)16(12(8)14)19(17)6-7-3-1-2-4-18-7/h1-4,8-16,20H,5-6H2
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2.69E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50401363
PNG
(CHEMBL2205827)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C20H23NO3/c1-23-11-4-3-8(5-12(11)24-2)7-21-19-15-9-6-10-14-13(9)16(19)18(14)20(21,22)17(10)15/h3-5,9-10,13-19,22H,6-7H2,1-2H3
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2.77E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha1B adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50401366
PNG
(CHEMBL2205831)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CC1CCCCC1
Show InChI InChI=1S/C18H25NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h8-17,20H,1-7H2
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2.83E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to D2 dopamine receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50401359
PNG
(CHEMBL2205816)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccn1
Show InChI InChI=1S/C18H20N2O/c21-18-15-10-7-9-11-12(10)16(18)14(11)17(13(9)15)20(18)6-4-8-3-1-2-5-19-8/h1-3,5,9-17,21H,4,6-7H2
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2.96E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M4 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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2.97E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2B receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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2.98E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to D1 dopamine receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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3.18E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to DAT


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50401384
PNG
(CHEMBL2205823)
Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3
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3.19E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50401365
PNG
(CHEMBL2205832)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccn1
Show InChI InChI=1S/C17H18N2O/c20-17-14-9-5-8-10-11(9)15(17)13(10)16(12(8)14)19(17)6-7-3-1-2-4-18-7/h1-4,8-16,20H,5-6H2
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3.42E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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3.49E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha1B adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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3.51E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT7 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50401363
PNG
(CHEMBL2205827)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C20H23NO3/c1-23-11-4-3-8(5-12(11)24-2)7-21-19-15-9-6-10-14-13(9)16(19)18(14)20(21,22)17(10)15/h3-5,9-10,13-19,22H,6-7H2,1-2H3
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3.58E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Histamine H2 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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3.60E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT7 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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3.64E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to NET


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50401363
PNG
(CHEMBL2205827)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C20H23NO3/c1-23-11-4-3-8(5-12(11)24-2)7-21-19-15-9-6-10-14-13(9)16(19)18(14)20(21,22)17(10)15/h3-5,9-10,13-19,22H,6-7H2,1-2H3
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3.65E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT7 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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3.73E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Histamine H1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50401376
PNG
(CHEMBL2205812)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3
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3.84E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Histamine H1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50401363
PNG
(CHEMBL2205827)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C20H23NO3/c1-23-11-4-3-8(5-12(11)24-2)7-21-19-15-9-6-10-14-13(9)16(19)18(14)20(21,22)17(10)15/h3-5,9-10,13-19,22H,6-7H2,1-2H3
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4.16E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M5 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50401363
PNG
(CHEMBL2205827)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C20H23NO3/c1-23-11-4-3-8(5-12(11)24-2)7-21-19-15-9-6-10-14-13(9)16(19)18(14)20(21,22)17(10)15/h3-5,9-10,13-19,22H,6-7H2,1-2H3
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4.16E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50401375
PNG
(CHEMBL2205814)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-4-3-9(7-13(12)25-2)5-6-22-20-16-10-8-11-15-14(10)17(20)19(15)21(22,23)18(11)16/h3-4,7,10-11,14-20,23H,5-6,8H2,1-2H3
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4.27E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to SERT


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401379
PNG
(CHEMBL2205830)
Show SMILES COc1cc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc(OC)c1OC
Show InChI InChI=1S/C21H25NO4/c1-24-11-4-8(5-12(25-2)20(11)26-3)7-22-19-15-9-6-10-14-13(9)16(19)18(14)21(22,23)17(10)15/h4-5,9-10,13-19,23H,6-7H2,1-3H3
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4.29E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50401368
PNG
(CHEMBL2205813)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-5-3-4-9(20(12)25-2)6-7-22-19-15-10-8-11-14-13(10)16(19)18(14)21(22,23)17(11)15/h3-5,10-11,13-19,23H,6-8H2,1-2H3
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4.35E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha2C adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50401363
PNG
(CHEMBL2205827)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C20H23NO3/c1-23-11-4-3-8(5-12(11)24-2)7-21-19-15-9-6-10-14-13(9)16(19)18(14)20(21,22)17(10)15/h3-5,9-10,13-19,22H,6-7H2,1-2H3
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4.42E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to SERT


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50401368
PNG
(CHEMBL2205813)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-5-3-4-9(20(12)25-2)6-7-22-19-15-10-8-11-14-13(10)16(19)18(14)21(22,23)17(11)15/h3-5,10-11,13-19,23H,6-8H2,1-2H3
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4.48E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50401363
PNG
(CHEMBL2205827)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C20H23NO3/c1-23-11-4-3-8(5-12(11)24-2)7-21-19-15-9-6-10-14-13(9)16(19)18(14)20(21,22)17(10)15/h3-5,9-10,13-19,22H,6-7H2,1-2H3
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4.61E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M1 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50401367
PNG
(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
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4.78E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50401365
PNG
(CHEMBL2205832)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccn1
Show InChI InChI=1S/C17H18N2O/c20-17-14-9-5-8-10-11(9)15(17)13(10)16(12(8)14)19(17)6-7-3-1-2-4-18-7/h1-4,8-16,20H,5-6H2
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5.01E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M2 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50401365
PNG
(CHEMBL2205832)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccn1
Show InChI InChI=1S/C17H18N2O/c20-17-14-9-5-8-10-11(9)15(17)13(10)16(12(8)14)19(17)6-7-3-1-2-4-18-7/h1-4,8-16,20H,5-6H2
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5.17E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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5.33E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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5.39E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50401368
PNG
(CHEMBL2205813)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-5-3-4-9(20(12)25-2)6-7-22-19-15-10-8-11-14-13(10)16(19)18(14)21(22,23)17(11)15/h3-5,10-11,13-19,23H,6-8H2,1-2H3
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5.47E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to D3 dopamine receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50401382
PNG
(CHEMBL2205825)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-8(3-5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3
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5.81E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M5 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50401376
PNG
(CHEMBL2205812)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3
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6.26E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT7 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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6.31E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1B receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50401375
PNG
(CHEMBL2205814)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-4-3-9(7-13(12)25-2)5-6-22-20-16-10-8-11-15-14(10)17(20)19(15)21(22,23)18(11)16/h3-4,7,10-11,14-20,23H,5-6,8H2,1-2H3
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6.87E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT7 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50401358
PNG
(CHEMBL2205817)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccnc1
Show InChI InChI=1S/C18H20N2O/c21-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)20(18)5-3-8-2-1-4-19-7-8/h1-2,4,7,9-17,21H,3,5-6H2
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7.14E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1B receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50401382
PNG
(CHEMBL2205825)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-8(3-5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3
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7.27E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Histamine H2 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50401384
PNG
(CHEMBL2205823)
Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3
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7.47E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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7.82E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT5A receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50401365
PNG
(CHEMBL2205832)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccn1
Show InChI InChI=1S/C17H18N2O/c20-17-14-9-5-8-10-11(9)15(17)13(10)16(12(8)14)19(17)6-7-3-1-2-4-18-7/h1-4,8-16,20H,5-6H2
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8.14E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M4 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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8.86E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Histamine H1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50401383
PNG
(CHEMBL2205824)
Show SMILES COc1cccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-3-8(5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3
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9.79E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Histamine H2 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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9.91E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to NET


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50401368
PNG
(CHEMBL2205813)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-5-3-4-9(20(12)25-2)6-7-22-19-15-10-8-11-14-13(10)16(19)18(14)21(22,23)17(11)15/h3-5,10-11,13-19,23H,6-8H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to DAT


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50401376
PNG
(CHEMBL2205812)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to NET


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50401363
PNG
(CHEMBL2205827)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C20H23NO3/c1-23-11-4-3-8(5-12(11)24-2)7-21-19-15-9-6-10-14-13(9)16(19)18(14)20(21,22)17(10)15/h3-5,9-10,13-19,22H,6-7H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to NET


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50401359
PNG
(CHEMBL2205816)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccn1
Show InChI InChI=1S/C18H20N2O/c21-18-15-10-7-9-11-12(10)16(18)14(11)17(13(9)15)20(18)6-4-8-3-1-2-5-19-8/h1-3,5,9-17,21H,4,6-7H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M5 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50401364
PNG
(CHEMBL2205833)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccnc1
Show InChI InChI=1S/C17H18N2O/c20-17-14-9-4-8-10-11(9)15(17)13(10)16(12(8)14)19(17)6-7-2-1-3-18-5-7/h1-3,5,8-16,20H,4,6H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M2 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50401367
PNG
(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha1A adrenergic


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50401376
PNG
(CHEMBL2205812)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1B receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50401382
PNG
(CHEMBL2205825)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-8(3-5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1B receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50401383
PNG
(CHEMBL2205824)
Show SMILES COc1cccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-3-8(5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha1A adrenergic


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50401384
PNG
(CHEMBL2205823)
Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha1A adrenergic


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50401358
PNG
(CHEMBL2205817)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccnc1
Show InChI InChI=1S/C18H20N2O/c21-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)20(18)5-3-8-2-1-4-19-7-8/h1-2,4,7,9-17,21H,3,5-6H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M5 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT6 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to M5 muscarinic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha1B adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50401359
PNG
(CHEMBL2205816)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccn1
Show InChI InChI=1S/C18H20N2O/c21-18-15-10-7-9-11-12(10)16(18)14(11)17(13(9)15)20(18)6-4-8-3-1-2-5-19-8/h1-3,5,9-17,21H,4,6-7H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT6 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50288954
PNG
(11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1
Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1B receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to D5 dopamine receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50401363
PNG
(CHEMBL2205827)
Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C20H23NO3/c1-23-11-4-3-8(5-12(11)24-2)7-21-19-15-9-6-10-14-13(9)16(19)18(14)20(21,22)17(10)15/h3-5,9-10,13-19,22H,6-7H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha1A adrenergic


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401365
PNG
(CHEMBL2205832)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccn1
Show InChI InChI=1S/C17H18N2O/c20-17-14-9-5-8-10-11(9)15(17)13(10)16(12(8)14)19(17)6-7-3-1-2-4-18-7/h1-4,8-16,20H,5-6H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Histamine H3 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50401365
PNG
(CHEMBL2205832)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccn1
Show InChI InChI=1S/C17H18N2O/c20-17-14-9-5-8-10-11(9)15(17)13(10)16(12(8)14)19(17)6-7-3-1-2-4-18-7/h1-4,8-16,20H,5-6H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to DAT


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT5A receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50288954
PNG
(11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1
Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Histamine H1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50401375
PNG
(CHEMBL2205814)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-4-3-9(7-13(12)25-2)5-6-22-20-16-10-8-11-15-14(10)17(20)19(15)21(22,23)18(11)16/h3-4,7,10-11,14-20,23H,5-6,8H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1B receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401364
PNG
(CHEMBL2205833)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccnc1
Show InChI InChI=1S/C17H18N2O/c20-17-14-9-4-8-10-11(9)15(17)13(10)16(12(8)14)19(17)6-7-2-1-3-18-5-7/h1-3,5,8-16,20H,4,6H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50401375
PNG
(CHEMBL2205814)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-4-3-9(7-13(12)25-2)5-6-22-20-16-10-8-11-15-14(10)17(20)19(15)21(22,23)18(11)16/h3-4,7,10-11,14-20,23H,5-6,8H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha1A adrenergic


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50401368
PNG
(CHEMBL2205813)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-5-3-4-9(20(12)25-2)6-7-22-19-15-10-8-11-14-13(10)16(19)18(14)21(22,23)17(11)15/h3-5,10-11,13-19,23H,6-8H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to D4 dopamine receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50401359
PNG
(CHEMBL2205816)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccn1
Show InChI InChI=1S/C18H20N2O/c21-18-15-10-7-9-11-12(10)16(18)14(11)17(13(9)15)20(18)6-4-8-3-1-2-5-19-8/h1-3,5,9-17,21H,4,6-7H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT5A receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%