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Compile Data Set for Download or QSAR

Found 207 hits with Last Name = 'xie' and Initial = 'xy'   
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 intracellular receptor 2


(Homo sapiens (Human))		BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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 0.120n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Binding affinity to sigma-2 receptor (unknown origin)

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50216056
PNG
((N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-...)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(I)cc(OC)c3OCCF)Cc2cc1OC
Show InChI InChI=1S/C25H32FIN2O5/c1-31-21-12-17-6-10-29(16-18(17)13-22(21)32-2)9-5-4-8-28-25(30)20-14-19(27)15-23(33-3)24(20)34-11-7-26/h12-15H,4-11,16H2,1-3H3,(H,28,30)
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 0.260n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Binding affinity to sigma-2 receptor (unknown origin)

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
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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 0.340n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Binding affinity to sigma-2 receptor (unknown origin)

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50562182
PNG
(CHEMBL4744466)
Show SMILES COc1cc2CCN(CCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2cc1OC
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 0.380n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-RHM-4 from sigma 2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50562185
PNG
(CHEMBL4746910)
Show SMILES COc1cc2CCN(CCCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2cc1OC
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 1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-RHM-4 from sigma 2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50562179
PNG
(CHEMBL4739972)
Show SMILES COc1cc2CCN(CCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2cc1OC
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 3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-RHM-4 from sigma 2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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 3.30n/an/an/an/an/an/an/an/a


TBA

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

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50308485
PNG
(CHEMBL4164137)
Show SMILES COc1ccc(C(=O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1
Show InChI InChI=1S/C24H31NO4/c1-17-13-20(27-2)8-9-21(17)22(26)7-5-6-11-25-12-10-18-14-23(28-3)24(29-4)15-19(18)16-25/h8-9,13-15H,5-7,10-12,16H2,1-4H3
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 5.10n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membranes after 120 mins in presence of (+)-pentazocine by microbeta scinti...

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50562176
PNG
(CHEMBL4778377)
Show SMILES COc1cc2CCN(CCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2cc1OC
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 5.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-RHM-4 from sigma 2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50310710
PNG
(CHEMBL4159357)
Show SMILES COc1ccc(C(O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1
Show InChI InChI=1S/C24H33NO4/c1-17-13-20(27-2)8-9-21(17)22(26)7-5-6-11-25-12-10-18-14-23(28-3)24(29-4)15-19(18)16-25/h8-9,13-15,22,26H,5-7,10-12,16H2,1-4H3
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 5.20n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membranes after 120 mins in presence of (+)-pentazocine by microbeta scinti...

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50308157
PNG
(CHEMBL4169075)
Show SMILES [H][C@@]12CCC[C@]([H])(CC(C1)OC(=O)Nc1cc(C)ccc1OC)N2CCCCCCN |r,@:8,TLB:10:8:4.3.2:23,24:23:4.3.2:9.8.7|
Show InChI InChI=1S/C23H37N3O3/c1-17-10-11-22(28-2)21(14-17)25-23(27)29-20-15-18-8-7-9-19(16-20)26(18)13-6-4-3-5-12-24/h10-11,14,18-20H,3-9,12-13,15-16,24H2,1-2H3,(H,25,27)/t18-,19-/m1/s1
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 5.20n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Binding affinity to sigma-2 receptor (unknown origin)

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50311259
PNG
(CHEMBL4174096)
Show SMILES COc1ccc(C(=O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
Show InChI InChI=1S/C24H31NO5/c1-27-19-8-9-20(22(15-19)28-2)21(26)7-5-6-11-25-12-10-17-13-23(29-3)24(30-4)14-18(17)16-25/h8-9,13-15H,5-7,10-12,16H2,1-4H3
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 5.80n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membranes after 120 mins in presence of (+)-pentazocine by microbeta scinti...

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50308322
PNG
(CHEMBL4163828)
Show SMILES COc1ccc(C(O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
Show InChI InChI=1S/C24H33NO5/c1-27-19-8-9-20(22(15-19)28-2)21(26)7-5-6-11-25-12-10-17-13-23(29-3)24(30-4)14-18(17)16-25/h8-9,13-15,21,26H,5-7,10-12,16H2,1-4H3
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 6.20n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membranes after 120 mins in presence of (+)-pentazocine by microbeta scinti...

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50137628
PNG
(CHEMBL1830682 | CHEMBL60048 | N-(4-(6,7-dimethoxy-...)
Show SMILES COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C24H32N2O4/c1-17-7-8-21(28-2)20(13-17)24(27)25-10-5-6-11-26-12-9-18-14-22(29-3)23(30-4)15-19(18)16-26/h7-8,13-15H,5-6,9-12,16H2,1-4H3,(H,25,27)
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 10n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Binding affinity to sigma-2 receptor (unknown origin)

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50310709
PNG
(CHEMBL4176254)
Show SMILES COc1ccc(C(=O)CCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1
Show InChI InChI=1S/C22H27NO4/c1-15-11-18(25-2)5-6-19(15)20(24)8-10-23-9-7-16-12-21(26-3)22(27-4)13-17(16)14-23/h5-6,11-13H,7-10,14H2,1-4H3
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 13n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


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

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50562184
PNG
(CHEMBL4744206)
Show SMILES COc1cc2CCN(CCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2c(OC)c1OC
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 13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-RHM-4 from sigma 2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50219754
PNG
(1-cyclohexyl-4-[3-(9H-carbazol-9-yl)propyl]piperaz...)
Show SMILES C(CN1CCN(CC1)C1CCCCC1)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C25H33N3/c1-2-9-21(10-3-1)27-19-17-26(18-20-27)15-8-16-28-24-13-6-4-11-22(24)23-12-5-7-14-25(23)28/h4-7,11-14,21H,1-3,8-10,15-20H2
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 13n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Binding affinity to sigma-2 receptor (unknown origin)

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50310711
PNG
(CHEMBL4161270)
Show SMILES COc1cc2CCN(CCCn3cnc4cc(OC)c(OC)cc4c3=O)Cc2cc1OC
Show InChI InChI=1S/C24H29N3O5/c1-29-20-10-16-6-9-26(14-17(16)11-21(20)30-2)7-5-8-27-15-25-19-13-23(32-4)22(31-3)12-18(19)24(27)28/h10-13,15H,5-9,14H2,1-4H3
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 14n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membranes after 120 mins in presence of (+)-pentazocine by microbeta scinti...

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
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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 14n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin)

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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 17n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin)

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50310949
PNG
(CHEMBL4170669)
Show SMILES COc1ccc(C(O)CCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1
Show InChI InChI=1S/C22H29NO4/c1-15-11-18(25-2)5-6-19(15)20(24)8-10-23-9-7-16-12-21(26-3)22(27-4)13-17(16)14-23/h5-6,11-13,20,24H,7-10,14H2,1-4H3
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 18n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membranes after 120 mins in presence of (+)-pentazocine by microbeta scinti...

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50009307
PNG
(DITOLYLGUANIDINE | Di-o-tolylguanidine)
Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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 19n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membranes after 120 mins in presence of (+)-pentazocine by microbeta scinti...

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50562183
PNG
(CHEMBL4760742)
Show SMILES COc1cc2CN(CCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)CCc2c(OC)c1OC
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 20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-RHM-4 from sigma 2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50562181
PNG
(CHEMBL4747537)
Show SMILES COc1cc2CCN(CCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2c(OC)c1OC
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 22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-RHM-4 from sigma 2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50310709
PNG
(CHEMBL4176254)
Show SMILES COc1ccc(C(=O)CCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1
Show InChI InChI=1S/C22H27NO4/c1-15-11-18(25-2)5-6-19(15)20(24)8-10-23-9-7-16-12-21(26-3)22(27-4)13-17(16)14-23/h5-6,11-13H,7-10,14H2,1-4H3
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 24n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membranes after 120 mins in presence of (+)-pentazocine by microbeta scinti...

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50310950
PNG
(CHEMBL4174489)
Show SMILES COc1ccc(C(O)CCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
Show InChI InChI=1S/C22H29NO5/c1-25-17-5-6-18(20(13-17)26-2)19(24)8-10-23-9-7-15-11-21(27-3)22(28-4)12-16(15)14-23/h5-6,11-13,19,24H,7-10,14H2,1-4H3
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 30n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membranes after 120 mins in presence of (+)-pentazocine by microbeta scinti...

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50308139
PNG
(CHEMBL4167498)
Show SMILES [H][C@]12CC[C@@]([H])(CC(C1)NC(=O)n1c3ccccc3n(CC)c1=O)N2C |r,@:7|
Show InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)/t13-,14-/m0/s1
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 32n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Binding affinity to sigma-2 receptor (unknown origin)

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50311259
PNG
(CHEMBL4174096)
Show SMILES COc1ccc(C(=O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
Show InChI InChI=1S/C24H31NO5/c1-27-19-8-9-20(22(15-19)28-2)21(26)7-5-6-11-25-12-10-17-13-23(29-3)24(30-4)14-18(17)16-25/h8-9,13-15H,5-7,10-12,16H2,1-4H3
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 33n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


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

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50562180
PNG
(CHEMBL4796195)
Show SMILES COc1cc2CN(CCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)CCc2c(OC)c1OC
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 34n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-RHM-4 from sigma 2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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 35n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-RHM-4 from sigma 2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50562186
PNG
(CHEMBL4761905)
Show SMILES COc1cc2CN(CCCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)CCc2c(OC)c1OC
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 40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-RHM-4 from sigma 2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50562177
PNG
(CHEMBL4763056)
Show SMILES COc1cc2CN(CCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)CCc2c(OC)c1OC
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 42n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-RHM-4 from sigma 2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50311260
PNG
(CHEMBL4169201)
Show SMILES COc1cc2CCN(CCCCn3cnc4cc(OC)c(OC)cc4c3=O)Cc2cc1OC
Show InChI InChI=1S/C25H31N3O5/c1-30-21-11-17-7-10-27(15-18(17)12-22(21)31-2)8-5-6-9-28-16-26-20-14-24(33-4)23(32-3)13-19(20)25(28)29/h11-14,16H,5-10,15H2,1-4H3
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 44n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membranes after 120 mins in presence of (+)-pentazocine by microbeta scinti...

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50310716
PNG
(CHEMBL4174792)
Show SMILES COc1ccc(C(=O)CN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
Show InChI InChI=1S/C21H25NO5/c1-24-16-5-6-17(19(11-16)25-2)18(23)13-22-8-7-14-9-20(26-3)21(27-4)10-15(14)12-22/h5-6,9-11H,7-8,12-13H2,1-4H3
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 54n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membranes after 120 mins in presence of (+)-pentazocine by microbeta scinti...

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50009307
PNG
(DITOLYLGUANIDINE | Di-o-tolylguanidine)
Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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 59n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


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

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50311258
PNG
(CHEMBL4167283)
Show SMILES COc1ccc(C(O)CN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
Show InChI InChI=1S/C21H27NO5/c1-24-16-5-6-17(19(11-16)25-2)18(23)13-22-8-7-14-9-20(26-3)21(27-4)10-15(14)12-22/h5-6,9-11,18,23H,7-8,12-13H2,1-4H3
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 62n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membranes after 120 mins in presence of (+)-pentazocine by microbeta scinti...

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50308339
PNG
(CHEMBL4166174)
Show SMILES COc1ccc(C(=O)CCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
Show InChI InChI=1S/C22H27NO5/c1-25-17-5-6-18(20(13-17)26-2)19(24)8-10-23-9-7-15-11-21(27-3)22(28-4)12-16(15)14-23/h5-6,11-13H,7-10,14H2,1-4H3
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 68n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membranes after 120 mins in presence of (+)-pentazocine by microbeta scinti...

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50308247
PNG
(CHEMBL1215855)
Show SMILES [H][C@]12C[C@H](CC)[C@]3([H])N(C1)CCc1c([nH]c4ccc(OC)cc14)[C@]3([H])C2 |@@:8,TLB:2:1:6:13.12.10.11,THB:13:23:8.9:3.2,10:8:23.25:3.2|
Show InChI InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1
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 90n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Binding affinity to sigma-2 receptor (unknown origin)

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50562179
PNG
(CHEMBL4739972)
Show SMILES COc1cc2CCN(CCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2cc1OC
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 160n/an/an/an/an/an/an/an/a


TBA

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

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50562173
PNG
(CHEMBL4778965)
Show SMILES COc1cc2CCN(CCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2cc1OC
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 956n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-RHM-4 from sigma 2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50562185
PNG
(CHEMBL4746910)
Show SMILES COc1cc2CCN(CCCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2cc1OC
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>1.00E+3n/an/an/an/an/an/an/an/a


TBA

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

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50562186
PNG
(CHEMBL4761905)
Show SMILES COc1cc2CN(CCCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)CCc2c(OC)c1OC
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>1.00E+3n/an/an/an/an/an/an/an/a


TBA

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

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50562187
PNG
(CHEMBL4765186)
Show SMILES COc1cc2CCN(CCCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2c(OC)c1OC
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TBA

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

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50562178
PNG
(CHEMBL4740343)
Show SMILES COc1cc2CCN(CCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2c(OC)c1OC
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TBA

Assay Description
Displacement of [125I]-RHM-4 from sigma 2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112906
BindingDB Entry DOI: 10.7270/Q23T9MXS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50308485
PNG
(CHEMBL4164137)
Show SMILES COc1ccc(C(=O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1
Show InChI InChI=1S/C24H31NO4/c1-17-13-20(27-2)8-9-21(17)22(26)7-5-6-11-25-12-10-18-14-23(28-3)24(29-4)15-19(18)16-25/h8-9,13-15H,5-7,10-12,16H2,1-4H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


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

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50308955
PNG
(CHEMBL4160449)
Show SMILES COc1cc2CCN(CCCn3cnc4cc(Cl)c(cc4c3=O)[N+]([O-])=O)Cc2cc1OC
Show InChI InChI=1S/C22H23ClN4O5/c1-31-20-8-14-4-7-25(12-15(14)9-21(20)32-2)5-3-6-26-13-24-18-11-17(23)19(27(29)30)10-16(18)22(26)28/h8-11,13H,3-7,12H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


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

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50308492
PNG
(CHEMBL4162732)
Show SMILES COc1cc2CCN(CCC(=O)c3c(C)c(OC)c(OC)c(OC)c3O)Cc2cc1OC
Show InChI InChI=1S/C24H31NO7/c1-14-20(21(27)23(31-5)24(32-6)22(14)30-4)17(26)8-10-25-9-7-15-11-18(28-2)19(29-3)12-16(15)13-25/h11-12,27H,7-10,13H2,1-6H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membranes after 120 mins in presence of (+)-pentazocine by microbeta scinti...

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50308339
PNG
(CHEMBL4166174)
Show SMILES COc1ccc(C(=O)CCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
Show InChI InChI=1S/C22H27NO5/c1-25-17-5-6-18(20(13-17)26-2)19(24)8-10-23-9-7-15-11-21(27-3)22(28-4)12-16(15)14-23/h5-6,11-13H,7-10,14H2,1-4H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


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

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50308955
PNG
(CHEMBL4160449)
Show SMILES COc1cc2CCN(CCCn3cnc4cc(Cl)c(cc4c3=O)[N+]([O-])=O)Cc2cc1OC
Show InChI InChI=1S/C22H23ClN4O5/c1-31-20-8-14-4-7-25(12-15(14)9-21(20)32-2)5-3-6-26-13-24-18-11-17(23)19(27(29)30)10-16(18)22(26)28/h8-11,13H,3-7,12H2,1-2H3
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membranes after 120 mins in presence of (+)-pentazocine by microbeta scinti...

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50308322
PNG
(CHEMBL4163828)
Show SMILES COc1ccc(C(O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
Show InChI InChI=1S/C24H33NO5/c1-27-19-8-9-20(22(15-19)28-2)21(26)7-5-6-11-25-12-10-17-13-23(29-3)24(30-4)14-18(17)16-25/h8-9,13-15,21,26H,5-7,10-12,16H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


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

Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
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