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Compile Data Set for Download or QSAR

Found 594 hits with Last Name = 'abate' and Initial = 'c'   
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


(Homo sapiens (Human))		BDBM50146585
PNG
(CHEMBL3763396)
Show SMILES CC1CCN(CCCCc2cccc3cc(OCCCCCCN4C(=O)c5ccc(cc5C4=O)N(C)C)ccc23)CC1
Show InChI InChI=1S/C36H47N3O3/c1-27-18-22-38(23-19-27)20-8-6-11-28-12-10-13-29-25-31(15-17-32(28)29)42-24-9-5-4-7-21-39-35(40)33-16-14-30(37(2)3)26-34(33)36(39)41/h10,12-17,25-27H,4-9,11,18-24H2,1-3H3
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 0.0300n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179280
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-4-methylpipe...)
Show SMILES COc1ccc2c(CCCCN3CCC(C)CC3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19/h5,7-10,16-17H,3-4,6,11-15H2,1-2H3
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 0.0300n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179280
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-4-methylpipe...)
Show SMILES COc1ccc2c(CCCCN3CCC(C)CC3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19/h5,7-10,16-17H,3-4,6,11-15H2,1-2H3
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 0.0300n/an/an/an/an/an/an/an/a



Universit£ Degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain membrane after 120 mins

Eur J Med Chem 108: 577-85 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.014
BindingDB Entry DOI: 10.7270/Q22Z17C3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50145021
PNG
(1-Cyclohexyl-4-[4-(1,2,3,4-tetrahydro-naphthalen-1...)
Show SMILES C(CCN1CCN(CC1)C1CCCCC1)CC1CCCc2ccccc12
Show InChI InChI=1S/C24H38N2/c1-2-13-23(14-3-1)26-19-17-25(18-20-26)16-7-6-10-22-12-8-11-21-9-4-5-15-24(21)22/h4-5,9,15,22-23H,1-3,6-8,10-14,16-20H2
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 0.0360n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.

J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299711
PNG
(4-Cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCC(=O)N3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H36N2O2/c1-28-23-12-6-10-21-19(7-5-11-22(21)23)13-14-24(27)26-17-15-25(16-18-26)20-8-3-2-4-9-20/h6,10,12,19-20H,2-5,7-9,11,13-18H2,1H3
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 0.110n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299711
PNG
(4-Cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCC(=O)N3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H36N2O2/c1-28-23-12-6-10-21-19(7-5-11-22(21)23)13-14-24(27)26-17-15-25(16-18-26)20-8-3-2-4-9-20/h6,10,12,19-20H,2-5,7-9,11,13-18H2,1H3
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 0.110n/an/an/an/an/an/an/an/a



Universit£ Degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain membrane after 120 mins

Eur J Med Chem 108: 577-85 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.014
BindingDB Entry DOI: 10.7270/Q22Z17C3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50145015
PNG
(1-Cyclohexyl-4-[3-((S)-5-methoxy-1,2,3,4-tetrahydr...)
Show SMILES COc1cccc2[C@H](CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m0/s1
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 0.130n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum

J Med Chem 54: 1022-32 (2011)


Article DOI: 10.1021/jm1013133
BindingDB Entry DOI: 10.7270/Q20V8D3K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419549
PNG
(CHEMBL1929282)
Show SMILES CC1(C)CCCN(CCCCC2CCCCc3ccccc23)C1
Show InChI InChI=1S/C22H35N/c1-22(2)15-9-17-23(18-22)16-8-7-13-20-11-4-3-10-19-12-5-6-14-21(19)20/h5-6,12,14,20H,3-4,7-11,13,15-18H2,1-2H3
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 0.140n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50419548
PNG
(CHEMBL1929281)
Show SMILES CC1(C)CCCN(CCCC2CCCCc3ccccc23)C1
Show InChI InChI=1S/C21H33N/c1-21(2)14-8-16-22(17-21)15-7-12-19-10-4-3-9-18-11-5-6-13-20(18)19/h5-6,11,13,19H,3-4,7-10,12,14-17H2,1-2H3
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 0.200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50359687
PNG
(CHEMBL1929279 | CHEMBL1929431)
Show SMILES CC1(C)CCCN(CCCC2CCCc3sccc23)C1
Show InChI InChI=1S/C18H29NS/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h9,13,15H,3-8,10-12,14H2,1-2H3
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 0.210n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50145029
PNG
(1-Cyclohexyl-4-(4-naphthalen-1-yl-butyl)-piperazin...)
Show SMILES C(CCc1cccc2ccccc12)CN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C24H34N2/c1-2-13-23(14-3-1)26-19-17-25(18-20-26)16-7-6-10-22-12-8-11-21-9-4-5-15-24(21)22/h4-5,8-9,11-12,15,23H,1-3,6-7,10,13-14,16-20H2
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 0.220n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.

J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179257
PNG
((-)-(R)-1-(4-(6-methoxynaphthalen-1-yl)butyl)-3-me...)
Show SMILES COc1ccc2c(CCCCN3CCC[C@@H](C)C3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-7-6-14-22(16-17)13-4-3-8-18-9-5-10-19-15-20(23-2)11-12-21(18)19/h5,9-12,15,17H,3-4,6-8,13-14,16H2,1-2H3/t17-/m1/s1
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 0.240n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299726
PNG
(1-cyclohexyl-4-(3-cyclohexylpropyl)piperazine | CH...)
Show SMILES C(CC1CCCCC1)CN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H36N2/c1-3-8-18(9-4-1)10-7-13-20-14-16-21(17-15-20)19-11-5-2-6-12-19/h18-19H,1-17H2
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 0.25n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50169599
PNG
(1-Benzenesulfonyl-3-((R)-1-methyl-pyrrolidin-2-ylm...)
Show SMILES CN1CCC[C@@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H22N2O2S/c1-21-13-7-8-17(21)14-16-15-22(20-12-6-5-11-19(16)20)25(23,24)18-9-3-2-4-10-18/h2-6,9-12,15,17H,7-8,13-14H2,1H3/t17-/m1/s1
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 0.300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells

Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179262
PNG
(1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCCN3CCC(C)(C)CC3)CCCc2c1
Show InChI InChI=1S/C22H35NO/c1-22(2)12-15-23(16-13-22)14-5-4-7-18-8-6-9-19-17-20(24-3)10-11-21(18)19/h10-11,17-18H,4-9,12-16H2,1-3H3
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 0.300n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50145014
PNG
(1-Cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydro-napht...)
Show SMILES COc1cccc2C(CN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C22H34N2O/c1-25-22-12-6-10-20-18(7-5-11-21(20)22)17-23-13-15-24(16-14-23)19-8-3-2-4-9-19/h6,10,12,18-19H,2-5,7-9,11,13-17H2,1H3
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 0.310n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.

J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50128107
PNG
(1-[2-(4-Chloro-phenoxy)-1-methyl-ethyl]-4-methyl-p...)
Show SMILES C[C@@H](COc1ccc(Cl)cc1)N1CCC(C)CC1
Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)13(2)11-18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m0/s1
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 0.340n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179260
PNG
(1-(3-(6-methoxynaphthalen-1-yl)propyl)-3,3-dimethy...)
Show SMILES COc1ccc2c(CCCN3CCCC(C)(C)C3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-21(2)12-6-14-22(16-21)13-5-9-17-7-4-8-18-15-19(23-3)10-11-20(17)18/h4,7-8,10-11,15H,5-6,9,12-14,16H2,1-3H3
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 0.350n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179260
PNG
(1-(3-(6-methoxynaphthalen-1-yl)propyl)-3,3-dimethy...)
Show SMILES COc1ccc2c(CCCN3CCCC(C)(C)C3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-21(2)12-6-14-22(16-21)13-5-9-17-7-4-8-18-15-19(23-3)10-11-20(17)18/h4,7-8,10-11,15H,5-6,9,12-14,16H2,1-3H3
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 0.350n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from Sigma1 receptor in guinea pig brain membrane

J Med Chem 50: 4648-55 (2007)


Article DOI: 10.1021/jm070373b
BindingDB Entry DOI: 10.7270/Q2SQ917Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50145019
PNG
(1-Cyclohexyl-4-[3-(6-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1ccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc2c1
Show InChI InChI=1S/C24H38N2O/c1-27-23-12-13-24-20(7-5-8-21(24)19-23)9-6-14-25-15-17-26(18-16-25)22-10-3-2-4-11-22/h12-13,19-20,22H,2-11,14-18H2,1H3
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 0.360n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.

J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179277
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-3,3-dimethyl...)
Show SMILES COc1ccc2c(CCCCN3CCCC(C)(C)C3)cccc2c1
Show InChI InChI=1S/C22H31NO/c1-22(2)13-7-15-23(17-22)14-5-4-8-18-9-6-10-19-16-20(24-3)11-12-21(18)19/h6,9-12,16H,4-5,7-8,13-15,17H2,1-3H3
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 0.360n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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 0.380n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay

Eur J Med Chem 46: 4733-41 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.057
BindingDB Entry DOI: 10.7270/Q2B56KQ5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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 0.380n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor from guinea pig brain membrane

J Med Chem 54: 5858-67 (2011)


Article DOI: 10.1021/jm200591t
BindingDB Entry DOI: 10.7270/Q2KK9C5Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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 0.380n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum

J Med Chem 54: 1022-32 (2011)


Article DOI: 10.1021/jm1013133
BindingDB Entry DOI: 10.7270/Q20V8D3K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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 0.380n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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 0.380n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419548
PNG
(CHEMBL1929281)
Show SMILES CC1(C)CCCN(CCCC2CCCCc3ccccc23)C1
Show InChI InChI=1S/C21H33N/c1-21(2)14-8-16-22(17-21)15-7-12-19-10-4-3-9-18-11-5-6-13-20(18)19/h5-6,11,13,19H,3-4,7-10,12,14-17H2,1-2H3
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 0.380n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50145018
PNG
(1-Cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydro-napht...)
Show SMILES COc1cccc2C(CCCc12)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H32N2O/c1-24-21-12-6-9-18-19(21)10-5-11-20(18)23-15-13-22(14-16-23)17-7-3-2-4-8-17/h6,9,12,17,20H,2-5,7-8,10-11,13-16H2,1H3
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 0.400n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.

J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179269
PNG
(1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCCN3CCC(C)CC3)CCCc2c1
Show InChI InChI=1S/C21H33NO/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19/h9-10,16-18H,3-8,11-15H2,1-2H3
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 0.420n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		CHEMBL5271751
PNG
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 0.430n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179278
PNG
((+)-(S)-1-(4-(6-methoxynaphthalen-1-yl)butyl)-2-me...)
Show SMILES COc1ccc2c(CCCCN3CCCC[C@@H]3C)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-8-3-5-14-22(17)15-6-4-9-18-10-7-11-19-16-20(23-2)12-13-21(18)19/h7,10-13,16-17H,3-6,8-9,14-15H2,1-2H3/t17-/m0/s1
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 0.5n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		CHEMBL5278003
PNG
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 0.580n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50145016
PNG
(1-Cyclohexyl-4-[3-(1,2,3,4-tetrahydro-naphthalen-1...)
Show SMILES C(CC1CCCc2ccccc12)CN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C23H36N2/c1-2-12-22(13-3-1)25-18-16-24(17-19-25)15-7-11-21-10-6-9-20-8-4-5-14-23(20)21/h4-5,8,14,21-22H,1-3,6-7,9-13,15-19H2
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 0.610n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.

J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50145012
PNG
(1-Cyclohexyl-4-[3-((R)-5-methoxy-1,2,3,4-tetrahydr...)
Show SMILES COc1cccc2[C@@H](CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m1/s1
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 0.630n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum

J Med Chem 54: 1022-32 (2011)


Article DOI: 10.1021/jm1013133
BindingDB Entry DOI: 10.7270/Q20V8D3K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179263
PNG
((+)-(S)-1-(4-(6-methoxynaphthalen-1-yl)butyl)-3-me...)
Show SMILES COc1ccc2c(CCCCN3CCC[C@H](C)C3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-7-6-14-22(16-17)13-4-3-8-18-9-5-10-19-15-20(23-2)11-12-21(18)19/h5,9-12,15,17H,3-4,6-8,13-14,16H2,1-2H3/t17-/m0/s1
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 0.660n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50067013
PNG
(1-[4-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCCN3CCCC(C)(C)C3)CCCc12
Show InChI InChI=1S/C22H35NO/c1-22(2)14-8-16-23(17-22)15-5-4-9-18-10-6-12-20-19(18)11-7-13-21(20)24-3/h7,11,13,18H,4-6,8-10,12,14-17H2,1-3H3
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 0.670n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299710
PNG
(4-Cyclohexyl-1-[N-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCCc12)NCCN1CCC(CC1)C1CCCCC1
Show InChI InChI=1S/C24H38N2O/c1-27-24-12-6-9-21-22(24)10-5-11-23(21)25-15-18-26-16-13-20(14-17-26)19-7-3-2-4-8-19/h6,9,12,19-20,23,25H,2-5,7-8,10-11,13-18H2,1H3
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 0.670n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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 0.680n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50145024
PNG
(5-[3-(4-Cyclohexyl-piperazin-1-yl)-propyl]-5,6,7,8...)
Show SMILES Oc1ccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc2c1
Show InChI InChI=1S/C23H36N2O/c26-22-11-12-23-19(6-4-7-20(23)18-22)8-5-13-24-14-16-25(17-15-24)21-9-2-1-3-10-21/h11-12,18-19,21,26H,1-10,13-17H2
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 0.690n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.

J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072352
PNG
(CHEMBL3409318)
Show SMILES CCOCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c12 |TLB:18:13:20:17.19.16,18:17:20:12.13.14,THB:16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C25H32N2O4/c1-3-31-8-7-27-15-20(23(28)19-5-4-6-21(30-2)22(19)27)24(29)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h4-6,15-18H,3,7-14H2,1-2H3,(H,26,29)
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 0.700n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia-Scienze del Farmaco, Università degli Studi di Bari Aldo Moro , Via Orabona 4, 70125, Bari, Italy.

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

J Med Chem 60: 9913-9931 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00155
BindingDB Entry DOI: 10.7270/Q2639S5P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50128110
PNG
(1-[2-(4-Chloro-phenoxy)-ethyl]-4-methyl-piperidine...)
Show SMILES CC1CCN(CCOc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C14H20ClNO/c1-12-6-8-16(9-7-12)10-11-17-14-4-2-13(15)3-5-14/h2-5,12H,6-11H2,1H3
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 0.860n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50585434
PNG
(CHEMBL5093782)
Show SMILES Cl.COc1ccc(OCCN2CCC(C)CC2)cc1
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 0.890n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50219753
PNG
(1-cyclohexyl-4-[3-(7-methoxynaphthalen-1-yl)propyl...)
Show SMILES COc1ccc2cccc(CCCN3CCN(CC3)C3CCCCC3)c2c1
Show InChI InChI=1S/C24H34N2O/c1-27-23-13-12-21-8-5-7-20(24(21)19-23)9-6-14-25-15-17-26(18-16-25)22-10-3-2-4-11-22/h5,7-8,12-13,19,22H,2-4,6,9-11,14-18H2,1H3
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 0.900n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from Sigma1 receptor in guinea pig brain membrane

J Med Chem 50: 4648-55 (2007)


Article DOI: 10.1021/jm070373b
BindingDB Entry DOI: 10.7270/Q2SQ917Z
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50419545
PNG
(CHEMBL1929278)
Show SMILES CC1(C)CCCN(CCCc2cccc3sccc23)C1
Show InChI InChI=1S/C18H25NS/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h3,6,8-9,13H,4-5,7,10-12,14H2,1-2H3
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 0.900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179269
PNG
(1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCCN3CCC(C)CC3)CCCc2c1
Show InChI InChI=1S/C21H33NO/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19/h9-10,16-18H,3-8,11-15H2,1-2H3
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 1n/an/an/an/an/an/an/an/a



Universit£ Degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain membrane after 120 mins

Eur J Med Chem 108: 577-85 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.014
BindingDB Entry DOI: 10.7270/Q22Z17C3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50170660
PNG
(CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...)
Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3
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 1n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179259
PNG
(1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCCN3CCCCC3)CCCc2c1
Show InChI InChI=1S/C20H31NO/c1-22-19-11-12-20-17(9-7-10-18(20)16-19)8-3-6-15-21-13-4-2-5-14-21/h11-12,16-17H,2-10,13-15H2,1H3
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 1.01n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419550
PNG
(CHEMBL1929287)
Show SMILES CC1(C)CCCN(CCCCC2CCCCC2)C1
Show InChI InChI=1S/C17H33N/c1-17(2)12-8-14-18(15-17)13-7-6-11-16-9-4-3-5-10-16/h16H,3-15H2,1-2H3
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 1.02n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50170660
PNG
(CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...)
Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3
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 1.03n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50419544
PNG
(CHEMBL1929277)
Show SMILES CC1(C)CCCN(CCCc2cccc3occc23)C1
Show InChI InChI=1S/C18H25NO/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h3,6,8-9,13H,4-5,7,10-12,14H2,1-2H3
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 1.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
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