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PubMed code 26874044

Compile data set for download or QSAR
Found 56 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


(Cavia porcellus (Guinea pig))		BDBM50151272
PNG
(CHEMBL3769930)
Show SMILES C(C1COC2(CCCCC2)O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H30N2O2/c1-3-7-18(8-4-1)15-21-11-13-22(14-12-21)16-19-17-23-20(24-19)9-5-2-6-10-20/h1,3-4,7-8,19H,2,5-6,9-17H2
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 0.741n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151254
PNG
(CHEMBL3769895)
Show SMILES C([C@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C27H36N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-2,4-7,10-13,25-26H,3,8-9,14-22H2/t26-,27+/m0/s1
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 1.10n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151258
PNG
(CHEMBL3770485)
Show SMILES C(C1COC(O1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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 1.70n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151271
PNG
(CHEMBL3769904)
Show SMILES C(C1COC2(CCCCC2)O1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H31NO2/c1-3-7-18(8-4-1)15-19-9-13-22(14-10-19)16-20-17-23-21(24-20)11-5-2-6-12-21/h1,3-4,7-8,19-20H,2,5-6,9-17H2
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 2n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151259
PNG
(CHEMBL3770830)
Show SMILES C(C1COC(O1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H31NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
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 2.20n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151252
PNG
(CHEMBL3770532)
Show SMILES C(C1COC(O1)(C1CCCCC1)C1CCCCC1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H42N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1,4-5,10-11,24-26H,2-3,6-9,12-22H2
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 3.40n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151264
PNG
(CHEMBL3770589)
Show SMILES O[C@H]1[C@@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C29H34N2O/c32-28-25(23-31-20-18-30(19-21-31)22-24-10-4-1-5-11-24)16-17-29(28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25,28,32H,16-23H2/t25-,28+/m1/s1
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 7.20n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151263
PNG
(CHEMBL3770151)
Show SMILES O[C@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H35NO/c32-29-26(23-31-20-17-25(18-21-31)22-24-10-4-1-5-11-24)16-19-30(29,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,25-26,29,32H,16-23H2/t26-,29+/m1/s1
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 7.60n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151268
PNG
(CHEMBL3771017)
Show SMILES OCC(CN1CCN(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H32N2O2/c30-22-26(21-29-18-16-28(17-19-29)20-23-10-4-1-5-11-23)31-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-27,30H,16-22H2
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 11n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151251
PNG
(CHEMBL3771186)
Show SMILES C(C1COC(S1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H31NOS/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
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 12n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151249
PNG
(CHEMBL3770762)
Show SMILES C(C1CSC(S1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H31NS2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
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 15n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50159022
PNG
(1-Benzyl-4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethy...)
Show SMILES C(C1COc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24N2O2/c1-2-6-17(7-3-1)14-21-10-12-22(13-11-21)15-18-16-23-19-8-4-5-9-20(19)24-18/h1-9,18H,10-16H2
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 16n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50159015
PNG
(4-Benzyl-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethy...)
Show SMILES C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H25NO2/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)15-19-16-23-20-8-4-5-9-21(20)24-19/h1-9,18-19H,10-16H2
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 17n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50159015
PNG
(4-Benzyl-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethy...)
Show SMILES C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H25NO2/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)15-19-16-23-20-8-4-5-9-21(20)24-19/h1-9,18-19H,10-16H2
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 18n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151270
PNG
(CHEMBL3769825)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H30N2O/c1-4-10-23(11-5-1)22-28-18-16-27(17-19-28)20-21-29-26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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 20n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151256
PNG
(CHEMBL3769960)
Show SMILES C([C@@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C27H36N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-2,4-7,10-13,25-26H,3,8-9,14-22H2/t26-,27-/m1/s1
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 31n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151264
PNG
(CHEMBL3770589)
Show SMILES O[C@H]1[C@@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C29H34N2O/c32-28-25(23-31-20-18-30(19-21-31)22-24-10-4-1-5-11-24)16-17-29(28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25,28,32H,16-23H2/t25-,28+/m1/s1
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 35n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151266
PNG
(CHEMBL3771016)
Show SMILES O[C@@H]1[C@@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C29H34N2O/c32-28-25(23-31-20-18-30(19-21-31)22-24-10-4-1-5-11-24)16-17-29(28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25,28,32H,16-23H2/t25-,28-/m1/s1
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 38n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151265
PNG
(CHEMBL3769446)
Show SMILES O[C@@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H35NO/c32-29-26(23-31-20-17-25(18-21-31)22-24-10-4-1-5-11-24)16-19-30(29,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,25-26,29,32H,16-23H2/t26-,29-/m1/s1
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 50n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151257
PNG
(CHEMBL3769508)
Show SMILES C([C@@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCC(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C28H37NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-2,4-7,10-13,24,26-27H,3,8-9,14-22H2/t27-,28-/m1/s1
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 52n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151269
PNG
(CHEMBL3770681)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H31NO/c1-4-10-23(11-5-1)22-24-16-18-28(19-17-24)20-21-29-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
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 56n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151255
PNG
(CHEMBL3769675)
Show SMILES C([C@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCC(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C28H37NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-2,4-7,10-13,24,26-27H,3,8-9,14-22H2/t27-,28+/m0/s1
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 56n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151250
PNG
(CHEMBL3770832)
Show SMILES C(C1COC(S1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H30N2OS/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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 63n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50159022
PNG
(1-Benzyl-4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethy...)
Show SMILES C(C1COc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24N2O2/c1-2-6-17(7-3-1)14-21-10-12-22(13-11-21)15-18-16-23-19-8-4-5-9-20(19)24-18/h1-9,18H,10-16H2
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 69n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151260
PNG
(CHEMBL3770072)
Show SMILES C(C1CCC(O1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H32N2O/c1-4-10-24(11-5-1)22-29-18-20-30(21-19-29)23-27-16-17-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27H,16-23H2
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 87n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151266
PNG
(CHEMBL3771016)
Show SMILES O[C@@H]1[C@@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C29H34N2O/c32-28-25(23-31-20-18-30(19-21-31)22-24-10-4-1-5-11-24)16-17-29(28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25,28,32H,16-23H2/t25-,28-/m1/s1
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 126n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151271
PNG
(CHEMBL3769904)
Show SMILES C(C1COC2(CCCCC2)O1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H31NO2/c1-3-7-18(8-4-1)15-19-9-13-22(14-10-19)16-20-17-23-21(24-20)11-5-2-6-12-21/h1,3-4,7-8,19-20H,2,5-6,9-17H2
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 162n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151247
PNG
(CHEMBL3769801)
Show SMILES C(C1CCC(O1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H33NO/c1-4-10-24(11-5-1)22-25-17-20-30(21-18-25)23-28-16-19-29(31-28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25,28H,16-23H2
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 174n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151267
PNG
(CHEMBL3770593)
Show SMILES OCC(CN1CCC(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H33NO2/c30-22-27(21-29-18-16-24(17-19-29)20-23-10-4-1-5-11-23)31-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27-28,30H,16-22H2
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 200n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151253
PNG
(CHEMBL3769874)
Show SMILES C(C1COC(O1)(C1CCCCC1)C1CCCCC1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H43NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1,4-5,10-11,24-27H,2-3,6-9,12-22H2
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 209n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151265
PNG
(CHEMBL3769446)
Show SMILES O[C@@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H35NO/c32-29-26(23-31-20-17-25(18-21-31)22-24-10-4-1-5-11-24)16-19-30(29,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,25-26,29,32H,16-23H2/t26-,29-/m1/s1
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 229n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151263
PNG
(CHEMBL3770151)
Show SMILES O[C@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H35NO/c32-29-26(23-31-20-17-25(18-21-31)22-24-10-4-1-5-11-24)16-19-30(29,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,25-26,29,32H,16-23H2/t26-,29+/m1/s1
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 282n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151248
PNG
(CHEMBL3770871)
Show SMILES C(C1CSC(S1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H30N2S2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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 302n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151267
PNG
(CHEMBL3770593)
Show SMILES OCC(CN1CCC(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H33NO2/c30-22-27(21-29-18-16-24(17-19-29)20-23-10-4-1-5-11-23)31-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27-28,30H,16-22H2
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 417n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151259
PNG
(CHEMBL3770830)
Show SMILES C(C1COC(O1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H31NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
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 550n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151262
PNG
(CHEMBL3770992)
Show SMILES O=C1C(CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H32N2O/c32-28-25(23-31-20-18-30(19-21-31)22-24-10-4-1-5-11-24)16-17-29(28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25H,16-23H2
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 646n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151272
PNG
(CHEMBL3769930)
Show SMILES C(C1COC2(CCCCC2)O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H30N2O2/c1-3-7-18(8-4-1)15-21-11-13-22(14-12-21)16-19-17-23-20(24-19)9-5-2-6-10-20/h1,3-4,7-8,19H,2,5-6,9-17H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151249
PNG
(CHEMBL3770762)
Show SMILES C(C1CSC(S1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H31NS2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151248
PNG
(CHEMBL3770871)
Show SMILES C(C1CSC(S1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H30N2S2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151268
PNG
(CHEMBL3771017)
Show SMILES OCC(CN1CCN(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H32N2O2/c30-22-26(21-29-18-16-28(17-19-29)20-23-10-4-1-5-11-23)31-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-27,30H,16-22H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151262
PNG
(CHEMBL3770992)
Show SMILES O=C1C(CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H32N2O/c32-28-25(23-31-20-18-30(19-21-31)22-24-10-4-1-5-11-24)16-17-29(28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25H,16-23H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151257
PNG
(CHEMBL3769508)
Show SMILES C([C@@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCC(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C28H37NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-2,4-7,10-13,24,26-27H,3,8-9,14-22H2/t27-,28-/m1/s1
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151258
PNG
(CHEMBL3770485)
Show SMILES C(C1COC(O1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151255
PNG
(CHEMBL3769675)
Show SMILES C([C@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCC(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C28H37NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-2,4-7,10-13,24,26-27H,3,8-9,14-22H2/t27-,28+/m0/s1
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151251
PNG
(CHEMBL3771186)
Show SMILES C(C1COC(S1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H31NOS/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151260
PNG
(CHEMBL3770072)
Show SMILES C(C1CCC(O1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H32N2O/c1-4-10-24(11-5-1)22-29-18-20-30(21-19-29)23-27-16-17-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27H,16-23H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151269
PNG
(CHEMBL3770681)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H31NO/c1-4-10-23(11-5-1)22-24-16-18-28(19-17-24)20-21-29-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151247
PNG
(CHEMBL3769801)
Show SMILES C(C1CCC(O1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H33NO/c1-4-10-24(11-5-1)22-25-17-20-30(21-18-25)23-28-16-19-29(31-28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25,28H,16-23H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151254
PNG
(CHEMBL3769895)
Show SMILES C([C@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C27H36N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-2,4-7,10-13,25-26H,3,8-9,14-22H2/t26-,27+/m0/s1
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151261
PNG
(CHEMBL3771163)
Show SMILES O=C1C(CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H33NO/c32-29-26(23-31-20-17-25(18-21-31)22-24-10-4-1-5-11-24)16-19-30(29,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,25-26H,16-23H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151270
PNG
(CHEMBL3769825)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H30N2O/c1-4-10-23(11-5-1)22-28-18-16-27(17-19-28)20-21-29-26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151253
PNG
(CHEMBL3769874)
Show SMILES C(C1COC(O1)(C1CCCCC1)C1CCCCC1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H43NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1,4-5,10-11,24-27H,2-3,6-9,12-22H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151252
PNG
(CHEMBL3770532)
Show SMILES C(C1COC(O1)(C1CCCCC1)C1CCCCC1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H42N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1,4-5,10-11,24-26H,2-3,6-9,12-22H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151250
PNG
(CHEMBL3770832)
Show SMILES C(C1COC(S1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H30N2OS/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50151256
PNG
(CHEMBL3769960)
Show SMILES C([C@@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C27H36N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-2,4-7,10-13,25-26H,3,8-9,14-22H2/t26-,27-/m1/s1
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50151261
PNG
(CHEMBL3771163)
Show SMILES O=C1C(CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H33NO/c32-29-26(23-31-20-17-25(18-21-31)22-24-10-4-1-5-11-24)16-19-30(29,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,25-26H,16-23H2
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 1.12E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method

Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%