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Compile Data Set for Download or QSAR

Found 9 hits of ic50 data for polymerid = 4936   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50372598
PNG
(CHEMBL273041)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C20H26N2/c1-3-8-19(9-4-1)12-7-13-21-14-16-22(17-15-21)18-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2
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n/an/a 1.47n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in guinea pig membrane


Bioorg Med Chem 16: 755-61 (2008)


Article DOI: 10.1016/j.bmc.2007.10.037
BindingDB Entry DOI: 10.7270/Q2251K1T
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50372598
PNG
(CHEMBL273041)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C20H26N2/c1-3-8-19(9-4-1)12-7-13-21-14-16-22(17-15-21)18-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2
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n/an/a 1.89n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in guinea pig membrane in presence of phenytoin


Bioorg Med Chem 16: 755-61 (2008)


Article DOI: 10.1016/j.bmc.2007.10.037
BindingDB Entry DOI: 10.7270/Q2251K1T
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50172868
PNG
((S)-2-(3-(benzyl(methyl)amino)propyl)-10,10a-dihyd...)
Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
Show InChI InChI=1S/C22H25N3O2/c1-23(15-17-8-3-2-4-9-17)12-7-13-24-21(26)20-14-18-10-5-6-11-19(18)16-25(20)22(24)27/h2-6,8-11,26H,7,12-16H2,1H3
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n/an/a 3.90n/an/an/an/an/an/a



UMR CNRS 8161-Universit£ Lille Nord de France-Institut Pasteur de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from guinea-pig cerebral cortex sigma 1 receptor after 150 mins


Eur J Med Chem 45: 256-63 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.004
BindingDB Entry DOI: 10.7270/Q2MS3SXW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50366613
PNG
(DEXTROMETHORPHAN)
Show SMILES COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1 |r,THB:17:16:5.18.6:8|
Show InChI InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
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n/an/a 15.2n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in guinea pig membrane in presence of phenytoin


Bioorg Med Chem 16: 755-61 (2008)


Article DOI: 10.1016/j.bmc.2007.10.037
BindingDB Entry DOI: 10.7270/Q2251K1T
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50338990
PNG
(1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...)
Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01192
BindingDB Entry DOI: 10.7270/Q2XD15CH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50366613
PNG
(DEXTROMETHORPHAN)
Show SMILES COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1 |r,THB:17:16:5.18.6:8|
Show InChI InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
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n/an/a 232n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in guinea pig membrane


Bioorg Med Chem 16: 755-61 (2008)


Article DOI: 10.1016/j.bmc.2007.10.037
BindingDB Entry DOI: 10.7270/Q2251K1T
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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n/an/a 960n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in guinea pig membrane


Bioorg Med Chem 16: 755-61 (2008)


Article DOI: 10.1016/j.bmc.2007.10.037
BindingDB Entry DOI: 10.7270/Q2251K1T
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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n/an/a 1.09E+3n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in guinea pig membrane in presence of phenytoin


Bioorg Med Chem 16: 755-61 (2008)


Article DOI: 10.1016/j.bmc.2007.10.037
BindingDB Entry DOI: 10.7270/Q2251K1T
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50137618
PNG
(5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC
Show InChI InChI=1S/C24H31BrN2O5/c1-29-20-11-16-7-10-27(15-17(16)12-21(20)30-2)9-6-5-8-26-24(28)19-13-18(25)14-22(31-3)23(19)32-4/h11-14H,5-10,15H2,1-4H3,(H,26,28)
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n/an/a 1.90E+3n/an/an/an/a8.0n/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane at pH 8.0 at 25 degC


Bioorg Med Chem Lett 17: 2594-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.005
BindingDB Entry DOI: 10.7270/Q2N58M15
More data for this
Ligand-Target Pair