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PubMed code 19673530

Compile data set for download or QSAR
Found 41 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50248926
PNG
(3-((1-(4-chlorobenzyl)piperidin-4-yl)methyl)benzo[...)
Show SMILES Clc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1
Show InChI InChI=1S/C20H21ClN2O2/c21-17-7-5-15(6-8-17)13-22-11-9-16(10-12-22)14-23-18-3-1-2-4-19(18)25-20(23)24/h1-8,16H,9-14H2
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 0.0980n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50047016
PNG
(1-(4-Fluoro-phenyl)-4-[4-hydroxy-4-(3-trifluoromet...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2
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 0.800n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295408
PNG
(3-[4-(N-Benzyl-N-methylamino)butyl]benzo[d]oxazol-...)
Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1ccccc1
Show InChI InChI=1S/C19H22N2O2/c1-20(15-16-9-3-2-4-10-16)13-7-8-14-21-17-11-5-6-12-18(17)23-19(21)22/h2-6,9-12H,7-8,13-15H2,1H3
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 2.60n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50248955
PNG
(3-((1-(4-methylbenzyl)piperidin-4-yl)methyl)benzo[...)
Show SMILES Cc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1
Show InChI InChI=1S/C21H24N2O2/c1-16-6-8-17(9-7-16)14-22-12-10-18(11-13-22)15-23-19-4-2-3-5-20(19)25-21(23)24/h2-9,18H,10-15H2,1H3
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 3.07n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50248905
PNG
(3-((1-benzylpiperidin-4-yl)methyl)benzo[d]oxazol-2...)
Show SMILES O=c1oc2ccccc2n1CC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H22N2O2/c23-20-22(18-8-4-5-9-19(18)24-20)15-17-10-12-21(13-11-17)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2
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 3.58n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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 5.70n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295411
PNG
(3-[4-[N-(4-Chlorobenzyl)-N-methylamino]butyl]benzo...)
Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O2/c1-21(14-15-8-10-16(20)11-9-15)12-4-5-13-22-17-6-2-3-7-18(17)24-19(22)23/h2-3,6-11H,4-5,12-14H2,1H3
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 7.10n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295422
PNG
(CHEMBL559979 | N-Benzyl-1-(4-chlorobenzyl)piperidi...)
Show SMILES Clc1ccc(CN2CCC(CC2)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C20H23ClN2O/c21-19-8-6-17(7-9-19)15-23-12-10-18(11-13-23)20(24)22-14-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H,22,24)
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 12.9n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		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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 15n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295414
PNG
(3-[3-[N-(4-Methoxybenzyl)-N-methylamino]butyl]benz...)
Show SMILES COc1ccc(CN(C)C(C)CCn2c3ccccc3oc2=O)cc1
Show InChI InChI=1S/C20H24N2O3/c1-15(21(2)14-16-8-10-17(24-3)11-9-16)12-13-22-18-6-4-5-7-19(18)25-20(22)23/h4-11,15H,12-14H2,1-3H3
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 21n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295421
PNG
(CHEMBL557297 | N,1-Dibenzylpiperidine-4-carboxamid...)
Show SMILES O=C(NCc1ccccc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24N2O/c23-20(21-15-17-7-3-1-4-8-17)19-11-13-22(14-12-19)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,21,23)
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 22.5n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50248930
PNG
(3-((1-(2-methylbenzyl)piperidin-4-yl)methyl)benzo[...)
Show SMILES Cc1ccccc1CN1CCC(Cn2c3ccccc3oc2=O)CC1
Show InChI InChI=1S/C21H24N2O2/c1-16-6-2-3-7-18(16)15-22-12-10-17(11-13-22)14-23-19-8-4-5-9-20(19)25-21(23)24/h2-9,17H,10-15H2,1H3
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 29.8n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50248956
PNG
(3-((1-(2,4-dimethylbenzyl)piperidin-4-yl)methyl)be...)
Show SMILES Cc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)c(C)c1
Show InChI InChI=1S/C22H26N2O2/c1-16-7-8-19(17(2)13-16)15-23-11-9-18(10-12-23)14-24-20-5-3-4-6-21(20)26-22(24)25/h3-8,13,18H,9-12,14-15H2,1-2H3
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 30.2n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295419
PNG
(CHEMBL559782 | N-Phenyl-1-(4-chlorobenzyl)piperidi...)
Show SMILES Clc1ccc(CN2CCC(CC2)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C19H21ClN2O/c20-17-8-6-15(7-9-17)14-22-12-10-16(11-13-22)19(23)21-18-4-2-1-3-5-18/h1-9,16H,10-14H2,(H,21,23)
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 45n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295418
PNG
(1-Benzyl-N-phenylpiperidine-4-carboxamide | CHEMBL...)
Show SMILES O=C(Nc1ccccc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H22N2O/c22-19(20-18-9-5-2-6-10-18)17-11-13-21(14-12-17)15-16-7-3-1-4-8-16/h1-10,17H,11-15H2,(H,20,22)
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 48.1n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50248906
PNG
(3-((1-(2-chlorobenzyl)piperidin-4-yl)methyl)benzo[...)
Show SMILES Clc1ccccc1CN1CCC(Cn2c3ccccc3oc2=O)CC1
Show InChI InChI=1S/C20H21ClN2O2/c21-17-6-2-1-5-16(17)14-22-11-9-15(10-12-22)13-23-18-7-3-4-8-19(18)25-20(23)24/h1-8,15H,9-14H2
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 60.9n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295423
PNG
(CHEMBL562510 | N-Benzyl-1-(4-methylbenzyl)piperidi...)
Show SMILES Cc1ccc(CN2CCC(CC2)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C21H26N2O/c1-17-7-9-19(10-8-17)16-23-13-11-20(12-14-23)21(24)22-15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,22,24)
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 69.4n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295431
PNG
(3-[3-[N-(4-Methoxybenzyl)-N-methylamino]propyl]ben...)
Show SMILES COc1ccc(CN(C)CCCn2c3ccccc3oc2=O)cc1
Show InChI InChI=1S/C19H22N2O3/c1-20(14-15-8-10-16(23-2)11-9-15)12-5-13-21-17-6-3-4-7-18(17)24-19(21)22/h3-4,6-11H,5,12-14H2,1-2H3
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 83n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295416
PNG
(3-[4-(N-Methylamino-N-(4-methylbenzyl)]benzo[d]oxa...)
Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1ccc(C)cc1
Show InChI InChI=1S/C20H24N2O2/c1-16-9-11-17(12-10-16)15-21(2)13-5-6-14-22-18-7-3-4-8-19(18)24-20(22)23/h3-4,7-12H,5-6,13-15H2,1-2H3
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 97n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295415
PNG
(3-[4-(N-Methylamino-N-(3-methylbenzyl)]benzo[d]oxa...)
Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1cccc(C)c1
Show InChI InChI=1S/C20H24N2O2/c1-16-8-7-9-17(14-16)15-21(2)12-5-6-13-22-18-10-3-4-11-19(18)24-20(22)23/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3
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 102n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295420
PNG
(CHEMBL551310 | N-Phenyl-1-(4-methylbenzyl)piperidi...)
Show SMILES Cc1ccc(CN2CCC(CC2)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C20H24N2O/c1-16-7-9-17(10-8-16)15-22-13-11-18(12-14-22)20(23)21-19-5-3-2-4-6-19/h2-10,18H,11-15H2,1H3,(H,21,23)
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 105n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
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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 180n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295425
PNG
(3-[3-(N-Benzyl-N-methylamino)propyl]benzo[d]oxazol...)
Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1ccccc1
Show InChI InChI=1S/C18H20N2O2/c1-19(14-15-8-3-2-4-9-15)12-7-13-20-16-10-5-6-11-17(16)22-18(20)21/h2-6,8-11H,7,12-14H2,1H3
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 223n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295417
PNG
(3-[4-[N-(2,4-Dimethylbenzyl)-N-methylamino]butyl]b...)
Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1ccc(C)cc1C
Show InChI InChI=1S/C21H26N2O2/c1-16-10-11-18(17(2)14-16)15-22(3)12-6-7-13-23-19-8-4-5-9-20(19)25-21(23)24/h4-5,8-11,14H,6-7,12-13,15H2,1-3H3
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 239n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50248927
PNG
(3-((1-(2,4-dichlorobenzyl)piperidin-4-yl)methyl)be...)
Show SMILES Clc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)c(Cl)c1
Show InChI InChI=1S/C20H20Cl2N2O2/c21-16-6-5-15(17(22)11-16)13-23-9-7-14(8-10-23)12-24-18-3-1-2-4-19(18)26-20(24)25/h1-6,11,14H,7-10,12-13H2
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 258n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295413
PNG
(3-[4-[N-(3-Methoxybenzyl)-N-methylamino]butyl]benz...)
Show SMILES COc1cccc(CN(C)CCCCn2c3ccccc3oc2=O)c1
Show InChI InChI=1S/C20H24N2O3/c1-21(15-16-8-7-9-17(14-16)24-2)12-5-6-13-22-18-10-3-4-11-19(18)25-20(22)23/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3
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 297n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295410
PNG
(3-[4-[N-(3-Chlorobenzyl)-N-methylamino]butyl]benzo...)
Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C19H21ClN2O2/c1-21(14-15-7-6-8-16(20)13-15)11-4-5-12-22-17-9-2-3-10-18(17)24-19(22)23/h2-3,6-10,13H,4-5,11-12,14H2,1H3
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 302n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50248958
PNG
(3-((1-(biphenyl-4-ylmethyl)piperidin-4-yl)methyl)b...)
Show SMILES O=c1oc2ccccc2n1CC1CCN(Cc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C26H26N2O2/c29-26-28(24-8-4-5-9-25(24)30-26)19-21-14-16-27(17-15-21)18-20-10-12-23(13-11-20)22-6-2-1-3-7-22/h1-13,21H,14-19H2
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 394n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295412
PNG
(3-[4-[N-(2-Methoxybenzyl)-N-methylamino]butyl]benz...)
Show SMILES COc1ccccc1CN(C)CCCCn1c2ccccc2oc1=O
Show InChI InChI=1S/C20H24N2O3/c1-21(15-16-9-3-5-11-18(16)24-2)13-7-8-14-22-17-10-4-6-12-19(17)25-20(22)23/h3-6,9-12H,7-8,13-15H2,1-2H3
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 594n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295409
PNG
(3-[4-[N-(2-Chlorobenzyl)-N-methylamino]butyl]benzo...)
Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1ccccc1Cl
Show InChI InChI=1S/C19H21ClN2O2/c1-21(14-15-8-2-3-9-16(15)20)12-6-7-13-22-17-10-4-5-11-18(17)24-19(22)23/h2-5,8-11H,6-7,12-14H2,1H3
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 843n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295406
PNG
(3-[3-[N-Methylamino-N-(4-methylbenzyl)]propyl]benz...)
Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1ccc(C)cc1
Show InChI InChI=1S/C19H22N2O2/c1-15-8-10-16(11-9-15)14-20(2)12-5-13-21-17-6-3-4-7-18(17)23-19(21)22/h3-4,6-11H,5,12-14H2,1-2H3
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 871n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295404
PNG
(3-[3-[N-Methylamino-N-(2-methylbenzyl)]propyl]benz...)
Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1ccccc1C
Show InChI InChI=1S/C19H22N2O2/c1-15-8-3-4-9-16(15)14-20(2)12-7-13-21-17-10-5-6-11-18(17)23-19(21)22/h3-6,8-11H,7,12-14H2,1-2H3
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 901n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50248959
PNG
(3-((1-(naphthalen-1-ylmethyl)piperidin-4-yl)methyl...)
Show SMILES O=c1oc2ccccc2n1CC1CCN(Cc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H24N2O2/c27-24-26(22-10-3-4-11-23(22)28-24)16-18-12-14-25(15-13-18)17-20-8-5-7-19-6-1-2-9-21(19)20/h1-11,18H,12-17H2
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 1.02E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295428
PNG
(3-[3-[N-(4-Chlorobenzyl)-N-methylamino]propyl]benz...)
Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2O2/c1-20(13-14-7-9-15(19)10-8-14)11-4-12-21-16-5-2-3-6-17(16)23-18(21)22/h2-3,5-10H,4,11-13H2,1H3
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 1.15E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295407
PNG
(3-[3-[N-(2,4-Dimethylbenzyl)-N-methylamino]propyl]...)
Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1ccc(C)cc1C
Show InChI InChI=1S/C20H24N2O2/c1-15-9-10-17(16(2)13-15)14-21(3)11-6-12-22-18-7-4-5-8-19(18)24-20(22)23/h4-5,7-10,13H,6,11-12,14H2,1-3H3
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 1.83E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295405
PNG
(3-[3-[N-Methylamino-N-(3-methylbenzyl)]propyl]benz...)
Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1cccc(C)c1
Show InChI InChI=1S/C19H22N2O2/c1-15-7-5-8-16(13-15)14-20(2)11-6-12-21-17-9-3-4-10-18(17)23-19(21)22/h3-5,7-10,13H,6,11-12,14H2,1-2H3
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 1.84E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295429
PNG
(3-[3-[N-(2-Methoxybenzyl)-N-methylamino]propyl]ben...)
Show SMILES COc1ccccc1CN(C)CCCn1c2ccccc2oc1=O
Show InChI InChI=1S/C19H22N2O3/c1-20(14-15-8-3-5-10-17(15)23-2)12-7-13-21-16-9-4-6-11-18(16)24-19(21)22/h3-6,8-11H,7,12-14H2,1-2H3
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 1.95E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295426
PNG
(3-[3-[N-(2-Chlorobenzyl)-N-methylamino]propyl]benz...)
Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1ccccc1Cl
Show InChI InChI=1S/C18H19ClN2O2/c1-20(13-14-7-2-3-8-15(14)19)11-6-12-21-16-9-4-5-10-17(16)23-18(21)22/h2-5,7-10H,6,11-13H2,1H3
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 2.49E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295427
PNG
(3-[3-[N-(3-Chlorobenzyl)-N-methylamino]propyl]benz...)
Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C18H19ClN2O2/c1-20(13-14-6-4-7-15(19)12-14)10-5-11-21-16-8-2-3-9-17(16)23-18(21)22/h2-4,6-9,12H,5,10-11,13H2,1H3
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 3.23E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50248957
PNG
(3-((1-(2,4,6-trimethylbenzyl)piperidin-4-yl)methyl...)
Show SMILES Cc1cc(C)c(CN2CCC(Cn3c4ccccc4oc3=O)CC2)c(C)c1
Show InChI InChI=1S/C23H28N2O2/c1-16-12-17(2)20(18(3)13-16)15-24-10-8-19(9-11-24)14-25-21-6-4-5-7-22(21)27-23(25)26/h4-7,12-13,19H,8-11,14-15H2,1-3H3
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 6.21E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50295430
PNG
(3-[3-[N-(3-Methoxybenzyl)-N-methylamino]propyl]ben...)
Show SMILES COc1cccc(CN(C)CCCn2c3ccccc3oc2=O)c1
Show InChI InChI=1S/C19H22N2O3/c1-20(14-15-7-5-8-16(13-15)23-2)11-6-12-21-17-9-3-4-10-18(17)24-19(21)22/h3-5,7-10,13H,6,11-12,14H2,1-2H3
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 8.55E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting

J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%