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PubMed code 20662542

Compile data set for download or QSAR
Found 64 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)
BDBM50324098
PNG
(CHEMBL1214891 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...)
Show SMILES FC(F)CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C23H26F2N2O2/c24-23(25)9-14-28-20-7-5-18(6-8-20)16-26-10-12-27(13-11-26)17-21-15-19-3-1-2-4-22(19)29-21/h1-8,15,23H,9-14,16-17H2
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2.60n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50324100
PNG
(CHEMBL1214830 | N-((Benzofuran-2-yl)methyl)-N'-(4'...)
Show SMILES COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C21H24N2O2/c1-24-19-8-6-17(7-9-19)15-22-10-12-23(13-11-22)16-20-14-18-4-2-3-5-21(18)25-20/h2-9,14H,10-13,15-16H2,1H3
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2.70n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50324099
PNG
(CHEMBL1214829 | N-((Benzofuran-2-yl)methyl)-N'-ben...)
Show SMILES C(N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1
Show InChI InChI=1S/C20H22N2O/c1-2-6-17(7-3-1)15-21-10-12-22(13-11-21)16-19-14-18-8-4-5-9-20(18)23-19/h1-9,14H,10-13,15-16H2
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5.20n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50324096
PNG
(CHEMBL1215038 | N-(Benzofuran-2-ylmethyl)-N'-(2'-(...)
Show SMILES FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H27FN2O2/c24-10-5-15-27-22-8-3-2-7-20(22)17-25-11-13-26(14-12-25)18-21-16-19-6-1-4-9-23(19)28-21/h1-4,6-9,16H,5,10-15,17-18H2
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9.10n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50324092
PNG
(CHEMBL1214961 | N-((Benzofuran-2-yl)methyl)-N'-(2'...)
Show SMILES COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C21H24N2O2/c1-24-20-8-4-3-7-18(20)15-22-10-12-23(13-11-22)16-19-14-17-6-2-5-9-21(17)25-19/h2-9,14H,10-13,15-16H2,1H3
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9.70n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50324097
PNG
(CHEMBL1214831 | N-(Benzofuran-2-ylmethyl)-N'-(4'-e...)
Show SMILES CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C22H26N2O2/c1-2-25-20-9-7-18(8-10-20)16-23-11-13-24(14-12-23)17-21-15-19-5-3-4-6-22(19)26-21/h3-10,15H,2,11-14,16-17H2,1H3
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10.6n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50324086
PNG
(CHEMBL1214893 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...)
Show SMILES FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C23H27FN2O2/c24-10-3-15-27-21-8-6-19(7-9-21)17-25-11-13-26(14-12-25)18-22-16-20-4-1-2-5-23(20)28-22/h1-2,4-9,16H,3,10-15,17-18H2
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14.7n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50324100
PNG
(CHEMBL1214830 | N-((Benzofuran-2-yl)methyl)-N'-(4'...)
Show SMILES COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C21H24N2O2/c1-24-19-8-6-17(7-9-19)15-22-10-12-23(13-11-22)16-20-14-18-4-2-3-5-21(18)25-20/h2-9,14H,10-13,15-16H2,1H3
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15n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50324087
PNG
(CHEMBL1214894 | N-((Benzofuran-2-yl)methyl)-N'-(3'...)
Show SMILES COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C21H24N2O2/c1-24-19-7-4-5-17(13-19)15-22-9-11-23(12-10-22)16-20-14-18-6-2-3-8-21(18)25-20/h2-8,13-14H,9-12,15-16H2,1H3
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16.3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50324087
PNG
(CHEMBL1214894 | N-((Benzofuran-2-yl)methyl)-N'-(3'...)
Show SMILES COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C21H24N2O2/c1-24-19-7-4-5-17(13-19)15-22-9-11-23(12-10-22)16-20-14-18-6-2-3-8-21(18)25-20/h2-8,13-14H,9-12,15-16H2,1H3
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28n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50324093
PNG
(CHEMBL1214962 | N-((Benzofuran-2-yl)methyl)-N'-(2'...)
Show SMILES CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C22H26N2O2/c1-2-25-21-9-5-4-8-19(21)16-23-11-13-24(14-12-23)17-20-15-18-7-3-6-10-22(18)26-20/h3-10,15H,2,11-14,16-17H2,1H3
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37.1n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50324089
PNG
(CHEMBL1214958 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...)
Show SMILES FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C22H25FN2O2/c23-8-13-26-20-6-3-4-18(14-20)16-24-9-11-25(12-10-24)17-21-15-19-5-1-2-7-22(19)27-21/h1-7,14-15H,8-13,16-17H2
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49.7n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50324085
PNG
(CHEMBL1214892 | N-(Benzofuran-2-ylmethyl)-N'-(4'-p...)
Show SMILES CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C23H28N2O2/c1-2-15-26-21-9-7-19(8-10-21)17-24-11-13-25(14-12-24)18-22-16-20-5-3-4-6-23(20)27-22/h3-10,16H,2,11-15,17-18H2,1H3
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53.8n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50324094
PNG
(CHEMBL1215036 | N-((Benzofuran-2-yl)methyl)-N'-(2'...)
Show SMILES FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C22H25FN2O2/c23-9-14-26-21-7-3-2-6-19(21)16-24-10-12-25(13-11-24)17-20-15-18-5-1-4-8-22(18)27-20/h1-8,15H,9-14,16-17H2
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57n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50324093
PNG
(CHEMBL1214962 | N-((Benzofuran-2-yl)methyl)-N'-(2'...)
Show SMILES CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C22H26N2O2/c1-2-25-21-9-5-4-8-19(21)16-23-11-13-24(14-12-23)17-20-15-18-7-3-6-10-22(18)26-20/h3-10,15H,2,11-14,16-17H2,1H3
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72n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50324095
PNG
(CHEMBL1215037 | N-(Benzofuran-2-ylmethyl)-N'-(2'-p...)
Show SMILES CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H28N2O2/c1-2-15-26-22-9-5-4-8-20(22)17-24-11-13-25(14-12-24)18-21-16-19-7-3-6-10-23(19)27-21/h3-10,16H,2,11-15,17-18H2,1H3
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79n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50324088
PNG
(CHEMBL1214895 | N-(Benzofuran-2-ylmethyl)-N'-(3'-e...)
Show SMILES CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C22H26N2O2/c1-2-25-20-8-5-6-18(14-20)16-23-10-12-24(13-11-23)17-21-15-19-7-3-4-9-22(19)26-21/h3-9,14-15H,2,10-13,16-17H2,1H3
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80n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50324098
PNG
(CHEMBL1214891 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...)
Show SMILES FC(F)CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C23H26F2N2O2/c24-23(25)9-14-28-20-7-5-18(6-8-20)16-26-10-12-27(13-11-26)17-21-15-19-3-1-2-4-22(19)29-21/h1-8,15,23H,9-14,16-17H2
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96n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50324095
PNG
(CHEMBL1215037 | N-(Benzofuran-2-ylmethyl)-N'-(2'-p...)
Show SMILES CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H28N2O2/c1-2-15-26-22-9-5-4-8-20(22)17-24-11-13-25(14-12-24)18-21-16-19-7-3-6-10-23(19)27-21/h3-10,16H,2,11-15,17-18H2,1H3
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116n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50324090
PNG
(CHEMBL1214959 | N-(Benzofuran-2-ylmethyl)-N'-(3'-p...)
Show SMILES CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C23H28N2O2/c1-2-14-26-21-8-5-6-19(15-21)17-24-10-12-25(13-11-24)18-22-16-20-7-3-4-9-23(20)27-22/h3-9,15-16H,2,10-14,17-18H2,1H3
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177n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50324096
PNG
(CHEMBL1215038 | N-(Benzofuran-2-ylmethyl)-N'-(2'-(...)
Show SMILES FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H27FN2O2/c24-10-5-15-27-22-8-3-2-7-20(22)17-25-11-13-26(14-12-25)18-21-16-19-6-1-4-9-23(19)28-21/h1-4,6-9,16H,5,10-15,17-18H2
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184n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50324091
PNG
(CHEMBL1214960 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...)
Show SMILES FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C23H27FN2O2/c24-9-4-14-27-21-7-3-5-19(15-21)17-25-10-12-26(13-11-25)18-22-16-20-6-1-2-8-23(20)28-22/h1-3,5-8,15-16H,4,9-14,17-18H2
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188n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50324092
PNG
(CHEMBL1214961 | N-((Benzofuran-2-yl)methyl)-N'-(2'...)
Show SMILES COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C21H24N2O2/c1-24-20-8-4-3-7-18(20)15-22-10-12-23(13-11-22)16-19-14-17-6-2-5-9-21(17)25-19/h2-9,14H,10-13,15-16H2,1H3
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198n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50324086
PNG
(CHEMBL1214893 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...)
Show SMILES FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C23H27FN2O2/c24-10-3-15-27-21-8-6-19(7-9-21)17-25-11-13-26(14-12-25)18-22-16-20-4-1-2-5-23(20)28-22/h1-2,4-9,16H,3,10-15,17-18H2
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232n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50324091
PNG
(CHEMBL1214960 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...)
Show SMILES FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C23H27FN2O2/c24-9-4-14-27-21-7-3-5-19(15-21)17-25-10-12-26(13-11-25)18-22-16-20-6-1-2-8-23(20)28-22/h1-3,5-8,15-16H,4,9-14,17-18H2
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232n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50324089
PNG
(CHEMBL1214958 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...)
Show SMILES FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C22H25FN2O2/c23-8-13-26-20-6-3-4-18(14-20)16-24-9-11-25(12-10-24)17-21-15-19-5-1-2-7-22(19)27-21/h1-7,14-15H,8-13,16-17H2
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244n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50324090
PNG
(CHEMBL1214959 | N-(Benzofuran-2-ylmethyl)-N'-(3'-p...)
Show SMILES CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C23H28N2O2/c1-2-14-26-21-8-5-6-19(15-21)17-24-10-12-25(13-11-24)18-22-16-20-7-3-4-9-23(20)27-22/h3-9,15-16H,2,10-14,17-18H2,1H3
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259n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50324097
PNG
(CHEMBL1214831 | N-(Benzofuran-2-ylmethyl)-N'-(4'-e...)
Show SMILES CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C22H26N2O2/c1-2-25-20-9-7-18(8-10-20)16-23-11-13-24(14-12-23)17-21-15-19-5-3-4-6-22(19)26-21/h3-10,15H,2,11-14,16-17H2,1H3
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262n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50324088
PNG
(CHEMBL1214895 | N-(Benzofuran-2-ylmethyl)-N'-(3'-e...)
Show SMILES CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C22H26N2O2/c1-2-25-20-8-5-6-18(14-20)16-23-10-12-24(13-11-23)17-21-15-19-7-3-4-9-22(19)26-21/h3-9,14-15H,2,10-13,16-17H2,1H3
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302n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50324087
PNG
(CHEMBL1214894 | N-((Benzofuran-2-yl)methyl)-N'-(3'...)
Show SMILES COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C21H24N2O2/c1-24-19-7-4-5-17(13-19)15-22-9-11-23(12-10-22)16-20-14-18-6-2-3-8-21(18)25-20/h2-8,13-14H,9-12,15-16H2,1H3
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373n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50324093
PNG
(CHEMBL1214962 | N-((Benzofuran-2-yl)methyl)-N'-(2'...)
Show SMILES CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C22H26N2O2/c1-2-25-21-9-5-4-8-19(21)16-23-11-13-24(14-12-23)17-20-15-18-7-3-6-10-22(18)26-20/h3-10,15H,2,11-14,16-17H2,1H3
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468n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50324089
PNG
(CHEMBL1214958 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...)
Show SMILES FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C22H25FN2O2/c23-8-13-26-20-6-3-4-18(14-20)16-24-9-11-25(12-10-24)17-21-15-19-5-1-2-7-22(19)27-21/h1-7,14-15H,8-13,16-17H2
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469n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50324094
PNG
(CHEMBL1215036 | N-((Benzofuran-2-yl)methyl)-N'-(2'...)
Show SMILES FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C22H25FN2O2/c23-9-14-26-21-7-3-2-6-19(21)16-24-10-12-25(13-11-24)17-20-15-18-5-1-4-8-22(18)27-20/h1-8,15H,9-14,16-17H2
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488n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50324099
PNG
(CHEMBL1214829 | N-((Benzofuran-2-yl)methyl)-N'-ben...)
Show SMILES C(N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1
Show InChI InChI=1S/C20H22N2O/c1-2-6-17(7-3-1)15-21-10-12-22(13-11-21)16-19-14-18-8-4-5-9-20(18)23-19/h1-9,14H,10-13,15-16H2
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497n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50324091
PNG
(CHEMBL1214960 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...)
Show SMILES FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C23H27FN2O2/c24-9-4-14-27-21-7-3-5-19(15-21)17-25-10-12-26(13-11-25)18-22-16-20-6-1-2-8-23(20)28-22/h1-3,5-8,15-16H,4,9-14,17-18H2
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599n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50324085
PNG
(CHEMBL1214892 | N-(Benzofuran-2-ylmethyl)-N'-(4'-p...)
Show SMILES CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C23H28N2O2/c1-2-15-26-21-9-7-19(8-10-21)17-24-11-13-25(14-12-24)18-22-16-20-5-3-4-6-23(20)27-22/h3-10,16H,2,11-15,17-18H2,1H3
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655n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50324090
PNG
(CHEMBL1214959 | N-(Benzofuran-2-ylmethyl)-N'-(3'-p...)
Show SMILES CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C23H28N2O2/c1-2-14-26-21-8-5-6-19(15-21)17-24-10-12-25(13-11-24)18-22-16-20-7-3-4-9-23(20)27-22/h3-9,15-16H,2,10-14,17-18H2,1H3
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774n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50324092
PNG
(CHEMBL1214961 | N-((Benzofuran-2-yl)methyl)-N'-(2'...)
Show SMILES COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C21H24N2O2/c1-24-20-8-4-3-7-18(20)15-22-10-12-23(13-11-22)16-19-14-17-6-2-5-9-21(17)25-19/h2-9,14H,10-13,15-16H2,1H3
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806n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50324099
PNG
(CHEMBL1214829 | N-((Benzofuran-2-yl)methyl)-N'-ben...)
Show SMILES C(N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1
Show InChI InChI=1S/C20H22N2O/c1-2-6-17(7-3-1)15-21-10-12-22(13-11-21)16-19-14-18-8-4-5-9-20(18)23-19/h1-9,14H,10-13,15-16H2
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833n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50324088
PNG
(CHEMBL1214895 | N-(Benzofuran-2-ylmethyl)-N'-(3'-e...)
Show SMILES CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C22H26N2O2/c1-2-25-20-8-5-6-18(14-20)16-23-10-12-24(13-11-23)17-21-15-19-7-3-4-9-22(19)26-21/h3-9,14-15H,2,10-13,16-17H2,1H3
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1.72E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50324100
PNG
(CHEMBL1214830 | N-((Benzofuran-2-yl)methyl)-N'-(4'...)
Show SMILES COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C21H24N2O2/c1-24-19-8-6-17(7-9-19)15-22-10-12-23(13-11-22)16-20-14-18-4-2-3-5-21(18)25-20/h2-9,14H,10-13,15-16H2,1H3
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2.19E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324089
PNG
(CHEMBL1214958 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...)
Show SMILES FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C22H25FN2O2/c23-8-13-26-20-6-3-4-18(14-20)16-24-9-11-25(12-10-24)17-21-15-19-5-1-2-7-22(19)27-21/h1-7,14-15H,8-13,16-17H2
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2.28E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50324098
PNG
(CHEMBL1214891 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...)
Show SMILES FC(F)CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C23H26F2N2O2/c24-23(25)9-14-28-20-7-5-18(6-8-20)16-26-10-12-27(13-11-26)17-21-15-19-3-1-2-4-22(19)29-21/h1-8,15,23H,9-14,16-17H2
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2.44E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50324095
PNG
(CHEMBL1215037 | N-(Benzofuran-2-ylmethyl)-N'-(2'-p...)
Show SMILES CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H28N2O2/c1-2-15-26-22-9-5-4-8-20(22)17-24-11-13-25(14-12-24)18-21-16-19-7-3-6-10-23(19)27-21/h3-10,16H,2,11-15,17-18H2,1H3
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2.46E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324100
PNG
(CHEMBL1214830 | N-((Benzofuran-2-yl)methyl)-N'-(4'...)
Show SMILES COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C21H24N2O2/c1-24-19-8-6-17(7-9-19)15-22-10-12-23(13-11-22)16-20-14-18-4-2-3-5-21(18)25-20/h2-9,14H,10-13,15-16H2,1H3
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2.70E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324091
PNG
(CHEMBL1214960 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...)
Show SMILES FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C23H27FN2O2/c24-9-4-14-27-21-7-3-5-19(15-21)17-25-10-12-26(13-11-25)18-22-16-20-6-1-2-8-23(20)28-22/h1-3,5-8,15-16H,4,9-14,17-18H2
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2.92E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324090
PNG
(CHEMBL1214959 | N-(Benzofuran-2-ylmethyl)-N'-(3'-p...)
Show SMILES CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C23H28N2O2/c1-2-14-26-21-8-5-6-19(15-21)17-24-10-12-25(13-11-24)18-22-16-20-7-3-4-9-23(20)27-22/h3-9,15-16H,2,10-14,17-18H2,1H3
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2.98E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50324094
PNG
(CHEMBL1215036 | N-((Benzofuran-2-yl)methyl)-N'-(2'...)
Show SMILES FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C22H25FN2O2/c23-9-14-26-21-7-3-2-6-19(21)16-24-10-12-25(13-11-24)17-20-15-18-5-1-4-8-22(18)27-20/h1-8,15H,9-14,16-17H2
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3.25E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50324086
PNG
(CHEMBL1214893 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...)
Show SMILES FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C23H27FN2O2/c24-10-3-15-27-21-8-6-19(7-9-21)17-25-11-13-26(14-12-25)18-22-16-20-4-1-2-5-23(20)28-22/h1-2,4-9,16H,3,10-15,17-18H2
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3.30E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50324097
PNG
(CHEMBL1214831 | N-(Benzofuran-2-ylmethyl)-N'-(4'-e...)
Show SMILES CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C22H26N2O2/c1-2-25-20-9-7-18(8-10-20)16-23-11-13-24(14-12-23)17-21-15-19-5-3-4-6-22(19)26-21/h3-10,15H,2,11-14,16-17H2,1H3
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3.34E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50324096
PNG
(CHEMBL1215038 | N-(Benzofuran-2-ylmethyl)-N'-(2'-(...)
Show SMILES FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H27FN2O2/c24-10-5-15-27-22-8-3-2-7-20(22)17-25-11-13-26(14-12-25)18-21-16-19-6-1-4-9-23(19)28-21/h1-4,6-9,16H,5,10-15,17-18H2
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3.38E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324088
PNG
(CHEMBL1214895 | N-(Benzofuran-2-ylmethyl)-N'-(3'-e...)
Show SMILES CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C22H26N2O2/c1-2-25-20-8-5-6-18(14-20)16-23-10-12-24(13-11-23)17-21-15-19-7-3-4-9-22(19)26-21/h3-9,14-15H,2,10-13,16-17H2,1H3
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4.54E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50324085
PNG
(CHEMBL1214892 | N-(Benzofuran-2-ylmethyl)-N'-(4'-p...)
Show SMILES CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C23H28N2O2/c1-2-15-26-21-9-7-19(8-10-21)17-24-11-13-25(14-12-24)18-22-16-20-5-3-4-6-23(20)27-22/h3-10,16H,2,11-15,17-18H2,1H3
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4.72E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324097
PNG
(CHEMBL1214831 | N-(Benzofuran-2-ylmethyl)-N'-(4'-e...)
Show SMILES CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C22H26N2O2/c1-2-25-20-9-7-18(8-10-20)16-23-11-13-24(14-12-23)17-21-15-19-5-3-4-6-22(19)26-21/h3-10,15H,2,11-14,16-17H2,1H3
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4.87E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324092
PNG
(CHEMBL1214961 | N-((Benzofuran-2-yl)methyl)-N'-(2'...)
Show SMILES COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C21H24N2O2/c1-24-20-8-4-3-7-18(20)15-22-10-12-23(13-11-22)16-19-14-17-6-2-5-9-21(17)25-19/h2-9,14H,10-13,15-16H2,1H3
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5.12E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324087
PNG
(CHEMBL1214894 | N-((Benzofuran-2-yl)methyl)-N'-(3'...)
Show SMILES COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C21H24N2O2/c1-24-19-7-4-5-17(13-19)15-22-9-11-23(12-10-22)16-20-14-18-6-2-3-8-21(18)25-20/h2-8,13-14H,9-12,15-16H2,1H3
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5.73E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324093
PNG
(CHEMBL1214962 | N-((Benzofuran-2-yl)methyl)-N'-(2'...)
Show SMILES CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C22H26N2O2/c1-2-25-21-9-5-4-8-19(21)16-23-11-13-24(14-12-23)17-20-15-18-7-3-6-10-22(18)26-20/h3-10,15H,2,11-14,16-17H2,1H3
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6.01E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324085
PNG
(CHEMBL1214892 | N-(Benzofuran-2-ylmethyl)-N'-(4'-p...)
Show SMILES CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C23H28N2O2/c1-2-15-26-21-9-7-19(8-10-21)17-24-11-13-25(14-12-24)18-22-16-20-5-3-4-6-23(20)27-22/h3-10,16H,2,11-15,17-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324095
PNG
(CHEMBL1215037 | N-(Benzofuran-2-ylmethyl)-N'-(2'-p...)
Show SMILES CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H28N2O2/c1-2-15-26-22-9-5-4-8-20(22)17-24-11-13-25(14-12-24)18-21-16-19-7-3-6-10-23(19)27-21/h3-10,16H,2,11-15,17-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324096
PNG
(CHEMBL1215038 | N-(Benzofuran-2-ylmethyl)-N'-(2'-(...)
Show SMILES FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H27FN2O2/c24-10-5-15-27-22-8-3-2-7-20(22)17-25-11-13-26(14-12-25)18-21-16-19-6-1-4-9-23(19)28-21/h1-4,6-9,16H,5,10-15,17-18H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324094
PNG
(CHEMBL1215036 | N-((Benzofuran-2-yl)methyl)-N'-(2'...)
Show SMILES FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C22H25FN2O2/c23-9-14-26-21-7-3-2-6-19(21)16-24-10-12-25(13-11-24)17-20-15-18-5-1-4-8-22(18)27-20/h1-8,15H,9-14,16-17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324098
PNG
(CHEMBL1214891 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...)
Show SMILES FC(F)CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C23H26F2N2O2/c24-23(25)9-14-28-20-7-5-18(6-8-20)16-26-10-12-27(13-11-26)17-21-15-19-3-1-2-4-22(19)29-21/h1-8,15,23H,9-14,16-17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324086
PNG
(CHEMBL1214893 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...)
Show SMILES FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C23H27FN2O2/c24-10-3-15-27-21-8-6-19(7-9-21)17-25-11-13-26(14-12-25)18-22-16-20-4-1-2-5-23(20)28-22/h1-2,4-9,16H,3,10-15,17-18H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324099
PNG
(CHEMBL1214829 | N-((Benzofuran-2-yl)methyl)-N'-ben...)
Show SMILES C(N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1
Show InChI InChI=1S/C20H22N2O/c1-2-6-17(7-3-1)15-21-10-12-22(13-11-21)16-19-14-18-8-4-5-9-20(18)23-19/h1-9,14H,10-13,15-16H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2


J Med Chem 53: 6228-39 (2010)


Article DOI: 10.1021/jm100639f
BindingDB Entry DOI: 10.7270/Q2V1250J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%