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Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'pati' and Initial = 'ml'   
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))
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


(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))
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))
BDBM50039129
PNG
(CHEMBL3355371)
Show SMILES CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1cccc(OC)c1
Show InChI InChI=1S/C28H31FN2O/c1-3-30(20-22-9-8-11-26(19-22)32-2)18-7-6-10-23-21-31(25-16-14-24(29)15-17-25)28-13-5-4-12-27(23)28/h4-5,8-9,11-17,19,21H,3,6-7,10,18,20H2,1-2H3
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2.40n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50146584
PNG
(CHEMBL3765740)
Show SMILES CC1CCN(CCCCC2CCCc3cc(OCCCCCCN4C(=O)c5ccc(cc5C4=O)N(C)C)ccc23)CC1
Show InChI InChI=1S/C36H51N3O3/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/h14-17,25-28H,4-13,18-24H2,1-3H3
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3.60n/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))
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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4.5n/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 guinea pig brain sigma1 receptor by scintillation counting analysis


Eur J Med Chem 89: 606-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.082
BindingDB Entry DOI: 10.7270/Q2S75HZT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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4.5n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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4.5n/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
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
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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5.20n/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))
BDBM50146586
PNG
(CHEMBL3763740)
Show SMILES CN(C)c1ccc2C(=O)N(CCCCCCOc3ccc4C(CCC(=O)N5CCN(CC5)C5CCCCC5)CCCc4c3)C(=O)c2c1
Show InChI InChI=1S/C39H54N4O4/c1-40(2)32-16-18-35-36(28-32)39(46)43(38(35)45)21-8-3-4-9-26-47-33-17-19-34-29(11-10-12-30(34)27-33)15-20-37(44)42-24-22-41(23-25-42)31-13-6-5-7-14-31/h16-19,27-29,31H,3-15,20-26H2,1-2H3
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13n/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 intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50464785
PNG
(CHEMBL4292641)
Show SMILES CCCCCN1CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C16H25NO2/c1-4-5-6-8-17-9-7-13-10-15(18-2)16(19-3)11-14(13)12-17/h10-11H,4-9,12H2,1-3H3
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine by radioligand binding assay


Eur J Med Chem 144: 359-371 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.024
BindingDB Entry DOI: 10.7270/Q23N2627
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50039137
PNG
(CHEMBL3355365)
Show SMILES COc1cccc(CCN(C)CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)c1
Show InChI InChI=1S/C28H31FN2O/c1-30(19-17-22-8-7-10-26(20-22)32-2)18-6-5-9-23-21-31(25-15-13-24(29)14-16-25)28-12-4-3-11-27(23)28/h3-4,7-8,10-16,20-21H,5-6,9,17-19H2,1-2H3
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18n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50039127
PNG
(CHEMBL3352847)
Show SMILES CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C29H33FN2O2/c1-4-31(20-22-12-17-28(33-2)29(19-22)34-3)18-8-7-9-23-21-32(25-15-13-24(30)14-16-25)27-11-6-5-10-26(23)27/h5-6,10-17,19,21H,4,7-9,18,20H2,1-3H3
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19n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50464784
PNG
(CHEMBL4290541)
Show SMILES COc1cc2CCN(CCCCN3C\C(=N/NC(=S)N(C)C)c4ccccc34)Cc2cc1OC
Show InChI InChI=1S/C26H35N5O2S/c1-29(2)26(34)28-27-22-18-31(23-10-6-5-9-21(22)23)13-8-7-12-30-14-11-19-15-24(32-3)25(33-4)16-20(19)17-30/h5-6,9-10,15-16H,7-8,11-14,17-18H2,1-4H3,(H,28,34)/b27-22+
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34n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine by radioligand binding assay


Eur J Med Chem 144: 359-371 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.024
BindingDB Entry DOI: 10.7270/Q23N2627
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50464783
PNG
(CHEMBL4285825)
Show SMILES CN(C)C(=S)N\N=C1/CN(CCCCN2CCN(CC2)C2CCCCC2)c2ccccc12
Show InChI InChI=1S/C25H40N6S/c1-28(2)25(32)27-26-23-20-31(24-13-7-6-12-22(23)24)15-9-8-14-29-16-18-30(19-17-29)21-10-4-3-5-11-21/h6-7,12-13,21H,3-5,8-11,14-20H2,1-2H3,(H,27,32)/b26-23+
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35n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine by radioligand binding assay


Eur J Med Chem 144: 359-371 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.024
BindingDB Entry DOI: 10.7270/Q23N2627
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50039144
PNG
(CHEMBL3355378)
Show SMILES CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)[C@H]1CCc2c1ccc(OC)c2OC |r|
Show InChI InChI=1S/C31H35FN2O2/c1-4-33(28-18-16-27-26(28)17-19-30(35-2)31(27)36-3)20-8-7-9-22-21-34(24-14-12-23(32)13-15-24)29-11-6-5-10-25(22)29/h5-6,10-15,17,19,21,28H,4,7-9,16,18,20H2,1-3H3/t28-/m0/s1
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51n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50039122
PNG
(CHEMBL3355376)
Show SMILES CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)C1CCc2c1ccc(OC)c2OC
Show InChI InChI=1S/C31H35FN2O2/c1-4-33(28-18-16-27-26(28)17-19-30(35-2)31(27)36-3)20-8-7-9-22-21-34(24-14-12-23(32)13-15-24)29-11-6-5-10-25(22)29/h5-6,10-15,17,19,21,28H,4,7-9,16,18,20H2,1-3H3
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59n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50464789
PNG
(CHEMBL4284762)
Show SMILES CCCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C15H30N2/c1-2-3-7-10-16-11-13-17(14-12-16)15-8-5-4-6-9-15/h15H,2-14H2,1H3
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65n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine by radioligand binding assay


Eur J Med Chem 144: 359-371 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.024
BindingDB Entry DOI: 10.7270/Q23N2627
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50039136
PNG
(CHEMBL3355366)
Show SMILES COc1ccc(CCN(C)CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C28H31FN2O/c1-30(20-18-22-10-16-26(32-2)17-11-22)19-6-5-7-23-21-31(25-14-12-24(29)13-15-25)28-9-4-3-8-27(23)28/h3-4,8-17,21H,5-7,18-20H2,1-2H3
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67n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50039123
PNG
(CHEMBL3355375)
Show SMILES COc1ccc2[C@H](CCc2c1OC)NCCCCc1cn(-c2ccc(F)cc2)c2ccccc12 |r|
Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-15-24-25(29(28)34-2)14-16-26(24)31-18-6-5-7-20-19-32(22-12-10-21(30)11-13-22)27-9-4-3-8-23(20)27/h3-4,8-13,15,17,19,26,31H,5-7,14,16,18H2,1-2H3/t26-/m0/s1
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122n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50039120
PNG
(CHEMBL3355377)
Show SMILES CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)[C@@H]1CCc2c1ccc(OC)c2OC |r|
Show InChI InChI=1S/C31H35FN2O2/c1-4-33(28-18-16-27-26(28)17-19-30(35-2)31(27)36-3)20-8-7-9-22-21-34(24-14-12-23(32)13-15-24)29-11-6-5-10-25(22)29/h5-6,10-15,17,19,21,28H,4,7-9,16,18,20H2,1-3H3/t28-/m1/s1
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126n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50039132
PNG
(CHEMBL3355369)
Show SMILES COc1ccc(CNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C26H27FN2O/c1-30-24-15-9-20(10-16-24)18-28-17-5-4-6-21-19-29(23-13-11-22(27)12-14-23)26-8-3-2-7-25(21)26/h2-3,7-16,19,28H,4-6,17-18H2,1H3
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129n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50299706
PNG
(4-Cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCCN3CCC(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C25H39NO/c1-27-25-14-6-12-23-22(10-5-13-24(23)25)11-7-17-26-18-15-21(16-19-26)20-8-3-2-4-9-20/h6,12,14,20-22H,2-5,7-11,13,15-19H2,1H3
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143n/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 guinea pig brain sigma1 receptor by scintillation counting analysis


Eur J Med Chem 89: 606-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.082
BindingDB Entry DOI: 10.7270/Q2S75HZT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50353279
PNG
(CHEMBL1830683 | CHEMBL259582)
Show SMILES COc1cc2CCN(CCCC3CCCc4c(OC)cccc34)Cc2cc1OC
Show InChI InChI=1S/C25H33NO3/c1-27-23-11-5-9-21-18(7-4-10-22(21)23)8-6-13-26-14-12-19-15-24(28-2)25(29-3)16-20(19)17-26/h5,9,11,15-16,18H,4,6-8,10,12-14,17H2,1-3H3
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151n/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 guinea pig brain sigma1 receptor by scintillation counting analysis


Eur J Med Chem 89: 606-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.082
BindingDB Entry DOI: 10.7270/Q2S75HZT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50039140
PNG
(CHEMBL3355362)
Show SMILES COc1cccc(CCNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)c1
Show InChI InChI=1S/C27H29FN2O/c1-31-25-9-6-7-21(19-25)16-18-29-17-5-4-8-22-20-30(24-14-12-23(28)13-15-24)27-11-3-2-10-26(22)27/h2-3,6-7,9-15,19-20,29H,4-5,8,16-18H2,1H3
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151n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50039124
PNG
(CHEMBL3355374)
Show SMILES COc1ccc2[C@@H](CCc2c1OC)NCCCCc1cn(-c2ccc(F)cc2)c2ccccc12 |r|
Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-15-24-25(29(28)34-2)14-16-26(24)31-18-6-5-7-20-19-32(22-12-10-21(30)11-13-22)27-9-4-3-8-23(20)27/h3-4,8-13,15,17,19,26,31H,5-7,14,16,18H2,1-2H3/t26-/m1/s1
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175n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50039126
PNG
(CHEMBL3355373)
Show SMILES COc1ccc2C(CCc2c1OC)NCCCCc1cn(-c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-15-24-25(29(28)34-2)14-16-26(24)31-18-6-5-7-20-19-32(22-12-10-21(30)11-13-22)27-9-4-3-8-23(20)27/h3-4,8-13,15,17,19,26,31H,5-7,14,16,18H2,1-2H3
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215n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50038697
PNG
(CHEMBL3354875)
Show SMILES COc1cccc2C(CCC(=O)N3CCC4(CC3)OCc3ccccc43)CCCc12
Show InChI InChI=1S/C26H31NO3/c1-29-24-11-5-8-21-19(7-4-9-22(21)24)12-13-25(28)27-16-14-26(15-17-27)23-10-3-2-6-20(23)18-30-26/h2-3,5-6,8,10-11,19H,4,7,9,12-18H2,1H3
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260n/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 guinea pig brain sigma1 receptor by scintillation counting analysis


Eur J Med Chem 89: 606-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.082
BindingDB Entry DOI: 10.7270/Q2S75HZT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50039135
PNG
(CHEMBL3355367)
Show SMILES COc1ccc(CCN(C)CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1OC
Show InChI InChI=1S/C29H33FN2O2/c1-31(19-17-22-11-16-28(33-2)29(20-22)34-3)18-7-6-8-23-21-32(25-14-12-24(30)13-15-25)27-10-5-4-9-26(23)27/h4-5,9-16,20-21H,6-8,17-19H2,1-3H3
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337n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50039139
PNG
(CHEMBL3355363)
Show SMILES COc1ccc(CCNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C27H29FN2O/c1-31-25-15-9-21(10-16-25)17-19-29-18-5-4-6-22-20-30(24-13-11-23(28)12-14-24)27-8-3-2-7-26(22)27/h2-3,7-16,20,29H,4-6,17-19H2,1H3
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431n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50039134
PNG
(CHEMBL3355368)
Show SMILES COc1cccc(CNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)c1
Show InChI InChI=1S/C26H27FN2O/c1-30-24-9-6-7-20(17-24)18-28-16-5-4-8-21-19-29(23-14-12-22(27)13-15-23)26-11-3-2-10-25(21)26/h2-3,6-7,9-15,17,19,28H,4-5,8,16,18H2,1H3
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544n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50039138
PNG
(CHEMBL3355364)
Show SMILES COc1ccc(CCNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1OC
Show InChI InChI=1S/C28H31FN2O2/c1-32-27-15-10-21(19-28(27)33-2)16-18-30-17-6-5-7-22-20-31(24-13-11-23(29)12-14-24)26-9-4-3-8-25(22)26/h3-4,8-15,19-20,30H,5-7,16-18H2,1-2H3
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939n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50038704
PNG
(CHEMBL3354882)
Show SMILES COc1cc2CCN(CCCCc3cn(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC
Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-21-14-16-31(19-23(21)18-29(28)34-2)15-6-5-7-22-20-32(25-12-10-24(30)11-13-25)27-9-4-3-8-26(22)27/h3-4,8-13,17-18,20H,5-7,14-16,19H2,1-2H3
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1.39E+3n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50038704
PNG
(CHEMBL3354882)
Show SMILES COc1cc2CCN(CCCCc3cn(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC
Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-21-14-16-31(19-23(21)18-29(28)34-2)15-6-5-7-22-20-32(25-12-10-24(30)11-13-25)27-9-4-3-8-26(22)27/h3-4,8-13,17-18,20H,5-7,14-16,19H2,1-2H3
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1.39E+3n/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 guinea pig brain sigma1 receptor by scintillation counting analysis


Eur J Med Chem 89: 606-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.082
BindingDB Entry DOI: 10.7270/Q2S75HZT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50038726
PNG
(CHEMBL3354886)
Show SMILES COc1cc2CCN(CCCCn3c4ccccc4c4ccccc34)Cc2cc1OC
Show InChI InChI=1S/C27H30N2O2/c1-30-26-17-20-13-16-28(19-21(20)18-27(26)31-2)14-7-8-15-29-24-11-5-3-9-22(24)23-10-4-6-12-25(23)29/h3-6,9-12,17-18H,7-8,13-16,19H2,1-2H3
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2.19E+3n/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 guinea pig brain sigma1 receptor by scintillation counting analysis


Eur J Med Chem 89: 606-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.082
BindingDB Entry DOI: 10.7270/Q2S75HZT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50441937
PNG
(CHEMBL2437387)
Show SMILES COc1cccc2C(=O)N(CCCN3CCc4cc(OC)c(OC)cc4C3)CCc12
Show InChI InChI=1S/C24H30N2O4/c1-28-21-7-4-6-20-19(21)9-13-26(24(20)27)11-5-10-25-12-8-17-14-22(29-2)23(30-3)15-18(17)16-25/h4,6-7,14-15H,5,8-13,16H2,1-3H3
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2.44E+3n/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))
BDBM50039131
PNG
(CHEMBL3355370)
Show SMILES COc1ccc(CNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1OC
Show InChI InChI=1S/C27H29FN2O2/c1-31-26-15-10-20(17-27(26)32-2)18-29-16-6-5-7-21-19-30(23-13-11-22(28)12-14-23)25-9-4-3-8-24(21)25/h3-4,8-15,17,19,29H,5-7,16,18H2,1-2H3
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2.70E+3n/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 sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay


Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50038698
PNG
(CHEMBL3354877)
Show SMILES COc1cccc2C(CCC(=O)N3CCC(CC3)c3ccc(F)cc3)CCCc12
Show InChI InChI=1S/C25H30FNO2/c1-29-24-7-3-5-22-20(4-2-6-23(22)24)10-13-25(28)27-16-14-19(15-17-27)18-8-11-21(26)12-9-18/h3,5,7-9,11-12,19-20H,2,4,6,10,13-17H2,1H3
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2.93E+3n/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 guinea pig brain sigma1 receptor by scintillation counting analysis


Eur J Med Chem 89: 606-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.082
BindingDB Entry DOI: 10.7270/Q2S75HZT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50038727
PNG
(CHEMBL3354887)
Show SMILES COc1cc2CCN(CCCC(=O)n3c4ccccc4c4ccccc34)Cc2cc1OC
Show InChI InChI=1S/C27H28N2O3/c1-31-25-16-19-13-15-28(18-20(19)17-26(25)32-2)14-7-12-27(30)29-23-10-5-3-8-21(23)22-9-4-6-11-24(22)29/h3-6,8-11,16-17H,7,12-15,18H2,1-2H3
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>5.00E+3n/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 guinea pig brain sigma1 receptor by scintillation counting analysis


Eur J Med Chem 89: 606-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.082
BindingDB Entry DOI: 10.7270/Q2S75HZT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50038703
PNG
(CHEMBL3354881)
Show SMILES COc1cc2CCN(CC(=O)N[C@H]3CCCc4c(OC)cccc34)Cc2cc1OC |r|
Show InChI InChI=1S/C24H30N2O4/c1-28-21-9-5-6-18-19(21)7-4-8-20(18)25-24(27)15-26-11-10-16-12-22(29-2)23(30-3)13-17(16)14-26/h5-6,9,12-13,20H,4,7-8,10-11,14-15H2,1-3H3,(H,25,27)/t20-/m0/s1
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>5.00E+3n/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 guinea pig brain sigma1 receptor by scintillation counting analysis


Eur J Med Chem 89: 606-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.082
BindingDB Entry DOI: 10.7270/Q2S75HZT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50038702
PNG
(CHEMBL3354880)
Show SMILES COc1cc2CCN(CC(=O)N[C@@H]3CCCc4c(OC)cccc34)Cc2cc1OC |r|
Show InChI InChI=1S/C24H30N2O4/c1-28-21-9-5-6-18-19(21)7-4-8-20(18)25-24(27)15-26-11-10-16-12-22(29-2)23(30-3)13-17(16)14-26/h5-6,9,12-13,20H,4,7-8,10-11,14-15H2,1-3H3,(H,25,27)/t20-/m1/s1
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>5.00E+3n/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 guinea pig brain sigma1 receptor by scintillation counting analysis


Eur J Med Chem 89: 606-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.082
BindingDB Entry DOI: 10.7270/Q2S75HZT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50038724
PNG
(CHEMBL3354884)
Show SMILES COc1cc2CCN(CCCCc3cn(-c4ccc(F)cc4)c4ccccc34)C(=O)c2cc1OC
Show InChI InChI=1S/C29H29FN2O3/c1-34-27-17-20-14-16-31(29(33)25(20)18-28(27)35-2)15-6-5-7-21-19-32(23-12-10-22(30)11-13-23)26-9-4-3-8-24(21)26/h3-4,8-13,17-19H,5-7,14-16H2,1-2H3
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>5.00E+3n/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 guinea pig brain sigma1 receptor by scintillation counting analysis


Eur J Med Chem 89: 606-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.082
BindingDB Entry DOI: 10.7270/Q2S75HZT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50038700
PNG
(CHEMBL3354878)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)CCC1CCCc2c(OC)cccc12
Show InChI InChI=1S/C25H31NO4/c1-28-22-9-5-7-20-17(6-4-8-21(20)22)10-11-25(27)26-13-12-18-14-23(29-2)24(30-3)15-19(18)16-26/h5,7,9,14-15,17H,4,6,8,10-13,16H2,1-3H3
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>5.00E+3n/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 guinea pig brain sigma1 receptor by scintillation counting analysis


Eur J Med Chem 89: 606-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.082
BindingDB Entry DOI: 10.7270/Q2S75HZT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50038728
PNG
(CHEMBL3354888)
Show SMILES COc1cc2CCN(CCCCn3c4ccccc4c4ccccc34)C(=O)c2cc1OC
Show InChI InChI=1S/C27H28N2O3/c1-31-25-17-19-13-16-28(27(30)22(19)18-26(25)32-2)14-7-8-15-29-23-11-5-3-9-20(23)21-10-4-6-12-24(21)29/h3-6,9-12,17-18H,7-8,13-16H2,1-2H3
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>5.00E+3n/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 guinea pig brain sigma1 receptor by scintillation counting analysis


Eur J Med Chem 89: 606-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.082
BindingDB Entry DOI: 10.7270/Q2S75HZT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50038699
PNG
(CHEMBL3352842)
Show SMILES COc1cccc2C(CCC(=O)N3CCC(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C25H37NO2/c1-28-24-12-6-10-22-21(9-5-11-23(22)24)13-14-25(27)26-17-15-20(16-18-26)19-7-3-2-4-8-19/h6,10,12,19-21H,2-5,7-9,11,13-18H2,1H3
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>5.00E+3n/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 guinea pig brain sigma1 receptor by scintillation counting analysis


Eur J Med Chem 89: 606-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.082
BindingDB Entry DOI: 10.7270/Q2S75HZT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50038722
PNG
(CHEMBL3354883)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)CCCc1cn(-c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C29H29FN2O3/c1-34-27-16-20-14-15-31(18-22(20)17-28(27)35-2)29(33)9-5-6-21-19-32(24-12-10-23(30)11-13-24)26-8-4-3-7-25(21)26/h3-4,7-8,10-13,16-17,19H,5-6,9,14-15,18H2,1-2H3
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>5.00E+3n/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 guinea pig brain sigma1 receptor by scintillation counting analysis


Eur J Med Chem 89: 606-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.082
BindingDB Entry DOI: 10.7270/Q2S75HZT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50038701
PNG
(CHEMBL3354879)
Show SMILES COc1cc2CCN(CC(=O)NC3CCCc4c(OC)cccc34)Cc2cc1OC
Show InChI InChI=1S/C24H30N2O4/c1-28-21-9-5-6-18-19(21)7-4-8-20(18)25-24(27)15-26-11-10-16-12-22(29-2)23(30-3)13-17(16)14-26/h5-6,9,12-13,20H,4,7-8,10-11,14-15H2,1-3H3,(H,25,27)
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>5.00E+3n/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 guinea pig brain sigma1 receptor by scintillation counting analysis


Eur J Med Chem 89: 606-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.082
BindingDB Entry DOI: 10.7270/Q2S75HZT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50038725
PNG
(CHEMBL3354885)
Show SMILES COc1cc2CCN(CC(=O)NCc3cn(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC
Show InChI InChI=1S/C28H28FN3O3/c1-34-26-13-19-11-12-31(16-20(19)14-27(26)35-2)18-28(33)30-15-21-17-32(23-9-7-22(29)8-10-23)25-6-4-3-5-24(21)25/h3-10,13-14,17H,11-12,15-16,18H2,1-2H3,(H,30,33)
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>5.00E+3n/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 guinea pig brain sigma1 receptor by scintillation counting analysis


Eur J Med Chem 89: 606-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.082
BindingDB Entry DOI: 10.7270/Q2S75HZT
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50464788
PNG
(CHEMBL4282423)
Show SMILES NC(=S)N\N=C1/CNc2ccccc12
Show InChI InChI=1S/C9H10N4S/c10-9(14)13-12-8-5-11-7-4-2-1-3-6(7)8/h1-4,11H,5H2,(H3,10,13,14)/b12-8+
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine by radioligand binding assay


Eur J Med Chem 144: 359-371 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.024
BindingDB Entry DOI: 10.7270/Q23N2627
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50464787
PNG
(CHEMBL4293027)
Show SMILES COc1cc2CCN(CCCCN3C\C(=N/NC(=S)N(C)C)c4ccccc34)C(=O)c2cc1OC
Show InChI InChI=1S/C26H33N5O3S/c1-29(2)26(35)28-27-21-17-31(22-10-6-5-9-19(21)22)13-8-7-12-30-14-11-18-15-23(33-3)24(34-4)16-20(18)25(30)32/h5-6,9-10,15-16H,7-8,11-14,17H2,1-4H3,(H,28,35)/b27-21+
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine by radioligand binding assay


Eur J Med Chem 144: 359-371 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.024
BindingDB Entry DOI: 10.7270/Q23N2627
More data for this
Ligand-Target Pair
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