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Compile Data Set for Download or QSAR

Found 158 hits with Last Name = 'ghandi' and Initial = 'm'   
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))		BDBM50159011
PNG
(4-Benzyl-1-(4-phenyl-butyl)-piperidine | CHEMBL178...)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C21H27N/c1-3-8-19(9-4-1)12-7-15-22-16-13-21(14-17-22)18-20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2
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 0.400n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50170446
PNG
(CHEMBL3805784)
Show SMILES C(N1CCC2(CC1)Nc1ccccc1N=N2)c1ccccc1 |c:16|
Show InChI InChI=1S/C18H20N4/c1-2-6-15(7-3-1)14-22-12-10-18(11-13-22)19-16-8-4-5-9-17(16)20-21-18/h1-9,19H,10-14H2
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 0.600n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from Sigma1 receptor in guinea pig brain membrane by liquid scintillation counting analysis

Bioorg Med Chem Lett 26: 2676-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.010
BindingDB Entry DOI: 10.7270/Q2KS6TFV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435872
PNG
(CHEMBL2391071)
Show SMILES Ic1cccc(CS(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C19H22INO2S/c20-19-8-4-7-18(14-19)15-24(22,23)21-11-9-17(10-12-21)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2
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 0.960n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435871
PNG
(CHEMBL2391070)
Show SMILES Brc1cccc(CS(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C19H22BrNO2S/c20-19-8-4-7-18(14-19)15-24(22,23)21-11-9-17(10-12-21)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2
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 1.60n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435865
PNG
(CHEMBL2391065)
Show SMILES Ic1cccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C18H21IN2O2S/c19-18-8-4-7-17(13-18)14-20-9-11-21(12-10-20)24(22,23)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2
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 1.80n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435861
PNG
(CHEMBL2391061)
Show SMILES Ic1cccc(CS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C18H21IN2O2S/c19-18-8-4-7-17(13-18)15-24(22,23)21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2
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 2.70n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
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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 2.80n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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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 3.60n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...

Bioorg Med Chem Lett 26: 2676-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.010
BindingDB Entry DOI: 10.7270/Q2KS6TFV
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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 4.60n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435873
PNG
(CHEMBL2391072)
Show SMILES Cc1cccc(CS(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C20H25NO2S/c1-17-6-5-9-20(14-17)16-24(22,23)21-12-10-19(11-13-21)15-18-7-3-2-4-8-18/h2-9,14,19H,10-13,15-16H2,1H3
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 4.70n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50001028
PNG
((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)
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:16:15:1:3.4.10|
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+/m0/s1
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 5n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...

Bioorg Med Chem Lett 26: 2676-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.010
BindingDB Entry DOI: 10.7270/Q2KS6TFV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50125096
PNG
(1,4-Dibenzyl-piperazine | 1,4-Dibenzyl-piperazine,...)
Show SMILES C(N1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C18H22N2/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-10H,11-16H2
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 5.80n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50170579
PNG
(CHEMBL3805466)
Show SMILES COc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H35N3O4/c1-36-25-14-12-23(13-15-25)27(34)31-21-26(33)32(24-10-6-3-7-11-24)28(35)29(31)16-18-30(19-17-29)20-22-8-4-2-5-9-22/h2,4-5,8-9,12-15,24H,3,6-7,10-11,16-21H2,1H3
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 5.90n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...

Bioorg Med Chem Lett 26: 2676-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.010
BindingDB Entry DOI: 10.7270/Q2KS6TFV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50170581
PNG
(CHEMBL3805031)
Show SMILES O=C(N1CC(=O)N(C2CCCCC2)C(=O)C11CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C28H33N3O3/c32-25-21-30(26(33)23-12-6-2-7-13-23)28(27(34)31(25)24-14-8-3-9-15-24)16-18-29(19-17-28)20-22-10-4-1-5-11-22/h1-2,4-7,10-13,24H,3,8-9,14-21H2
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 7.20n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...

Bioorg Med Chem Lett 26: 2676-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.010
BindingDB Entry DOI: 10.7270/Q2KS6TFV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435869
PNG
(CHEMBL2391068)
Show SMILES O=S(=O)(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H23NO2S/c21-23(22,16-19-9-5-2-6-10-19)20-13-11-18(12-14-20)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2
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 9.90n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50170580
PNG
(CHEMBL3805219)
Show SMILES Cc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H35N3O3/c1-22-12-14-24(15-13-22)27(34)31-21-26(33)32(25-10-6-3-7-11-25)28(35)29(31)16-18-30(19-17-29)20-23-8-4-2-5-9-23/h2,4-5,8-9,12-15,25H,3,6-7,10-11,16-21H2,1H3
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 11n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...

Bioorg Med Chem Lett 26: 2676-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.010
BindingDB Entry DOI: 10.7270/Q2KS6TFV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435858
PNG
(CHEMBL1327876)
Show SMILES O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H22N2O2S/c21-23(22,16-18-9-5-2-6-10-18)20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-10H,11-16H2
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 11n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435867
PNG
(CHEMBL1479800)
Show SMILES Brc1ccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C18H21BrN2O2S/c19-18-8-6-16(7-9-18)14-20-10-12-21(13-11-20)24(22,23)15-17-4-2-1-3-5-17/h1-9H,10-15H2
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 13n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435866
PNG
(CHEMBL2391066)
Show SMILES Cc1cccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C19H24N2O2S/c1-17-6-5-9-19(14-17)15-20-10-12-21(13-11-20)24(22,23)16-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3
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 15n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
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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 20n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50440441
PNG
(CHEMBL2425846)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccc(F)cc4)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C25H19FN2O3/c26-14-11-9-13(10-12-14)19-20-22(27)15-5-1-3-7-17(15)28-24(20)31-23-16-6-2-4-8-18(16)30-25(29)21(19)23/h2,4,6,8-12,19H,1,3,5,7H2,(H2,27,28)
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 22n/an/an/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis

Eur J Med Chem 68: 291-300 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.045
BindingDB Entry DOI: 10.7270/Q2794637
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435874
PNG
(CHEMBL2391073)
Show SMILES O=S(=O)(N1CCC(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C18H21NO2S/c20-22(21,18-9-5-2-6-10-18)19-13-11-17(12-14-19)15-16-7-3-1-4-8-16/h1-10,17H,11-15H2
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 24n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435875
PNG
(CHEMBL272551)
Show SMILES O=S(=O)(N1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C17H20N2O2S/c20-22(21,17-9-5-2-6-10-17)19-13-11-18(12-14-19)15-16-7-3-1-4-8-16/h1-10H,11-15H2
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 28n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435860
PNG
(CHEMBL2391060)
Show SMILES Brc1cccc(CS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C18H21BrN2O2S/c19-18-8-4-7-17(13-18)15-24(22,23)21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2
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 30n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435862
PNG
(CHEMBL2391062)
Show SMILES Cc1cccc(CS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C19H24N2O2S/c1-17-6-5-9-19(14-17)16-24(22,23)21-12-10-20(11-13-21)15-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3
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 36n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
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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 37n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...

Bioorg Med Chem Lett 26: 2676-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.010
BindingDB Entry DOI: 10.7270/Q2KS6TFV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435884
PNG
(CHEMBL2391057)
Show SMILES OC[C@@H]1CN(CCc2ccccc2)CCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C20H26N2O/c23-17-20-16-21(12-11-18-7-3-1-4-8-18)13-14-22(20)15-19-9-5-2-6-10-19/h1-10,20,23H,11-17H2/t20-/m0/s1
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 38n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		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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 38n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435870
PNG
(CHEMBL2391069)
Show SMILES Clc1cccc(CS(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C19H22ClNO2S/c20-19-8-4-7-18(14-19)15-24(22,23)21-11-9-17(10-12-21)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2
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 40n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435864
PNG
(CHEMBL2391064)
Show SMILES Clc1cccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C18H21ClN2O2S/c19-18-8-4-7-17(13-18)14-20-9-11-21(12-10-20)24(22,23)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2
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 52n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435878
PNG
(CHEMBL2391076)
Show SMILES O=S(=O)(CCc1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H25NO2S/c22-24(23,16-13-18-7-3-1-4-8-18)21-14-11-20(12-15-21)17-19-9-5-2-6-10-19/h1-10,20H,11-17H2
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 60n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435859
PNG
(CHEMBL2391059)
Show SMILES Clc1cccc(CS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C18H21ClN2O2S/c19-18-8-4-7-17(13-18)15-24(22,23)21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2
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 68n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435863
PNG
(CHEMBL2391063)
Show SMILES Fc1cccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C18H21FN2O2S/c19-18-8-4-7-17(13-18)14-20-9-11-21(12-10-20)24(22,23)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2
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 69n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435879
PNG
(CHEMBL2391077)
Show SMILES O=S(=O)(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H24N2O2S/c22-24(23,16-11-18-7-3-1-4-8-18)21-14-12-20(13-15-21)17-19-9-5-2-6-10-19/h1-10H,11-17H2
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 78n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50170577
PNG
(CHEMBL3805640)
Show SMILES O=C(N1CC(=O)N(C2CCCCC2)C(=O)C11CCCC1)c1ccccc1
Show InChI InChI=1S/C21H26N2O3/c24-18-15-22(19(25)16-9-3-1-4-10-16)21(13-7-8-14-21)20(26)23(18)17-11-5-2-6-12-17/h1,3-4,9-10,17H,2,5-8,11-15H2
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 80n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...

Bioorg Med Chem Lett 26: 2676-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.010
BindingDB Entry DOI: 10.7270/Q2KS6TFV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435880
PNG
(CHEMBL2391078)
Show SMILES O=S(=O)(\C=C\c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H23NO2S/c22-24(23,16-13-18-7-3-1-4-8-18)21-14-11-20(12-15-21)17-19-9-5-2-6-10-19/h1-10,13,16,20H,11-12,14-15,17H2/b16-13+
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 138n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50170575
PNG
(CHEMBL3805259)
Show SMILES Cc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCCC1
Show InChI InChI=1S/C22H28N2O3/c1-16-9-11-17(12-10-16)20(26)23-15-19(25)24(18-7-3-2-4-8-18)21(27)22(23)13-5-6-14-22/h9-12,18H,2-8,13-15H2,1H3
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 189n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...

Bioorg Med Chem Lett 26: 2676-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.010
BindingDB Entry DOI: 10.7270/Q2KS6TFV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435868
PNG
(CHEMBL2391067)
Show SMILES COc1ccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C19H24N2O3S/c1-24-19-9-7-17(8-10-19)15-20-11-13-21(14-12-20)25(22,23)16-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
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 192n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435881
PNG
(CHEMBL1422857)
Show SMILES O=S(=O)(\C=C\c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H22N2O2S/c22-24(23,16-11-18-7-3-1-4-8-18)21-14-12-20(13-15-21)17-19-9-5-2-6-10-19/h1-11,16H,12-15,17H2/b16-11+
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 201n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50170570
PNG
(CHEMBL3805661)
Show SMILES O=C(N1CC(=O)N(C2CCCCC2)C(=O)C11CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H28N2O3/c25-19-16-23(20(26)17-10-4-1-5-11-17)22(14-8-3-9-15-22)21(27)24(19)18-12-6-2-7-13-18/h1,4-5,10-11,18H,2-3,6-9,12-16H2
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 227n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...

Bioorg Med Chem Lett 26: 2676-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.010
BindingDB Entry DOI: 10.7270/Q2KS6TFV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50170568
PNG
(CHEMBL3805535)
Show SMILES Cc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCCCC1
Show InChI InChI=1S/C23H30N2O3/c1-17-10-12-18(13-11-17)21(27)24-16-20(26)25(19-8-4-2-5-9-19)22(28)23(24)14-6-3-7-15-23/h10-13,19H,2-9,14-16H2,1H3
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 399n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...

Bioorg Med Chem Lett 26: 2676-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.010
BindingDB Entry DOI: 10.7270/Q2KS6TFV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50170574
PNG
(CHEMBL3804973)
Show SMILES COc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCCC1
Show InChI InChI=1S/C22H28N2O4/c1-28-18-11-9-16(10-12-18)20(26)23-15-19(25)24(17-7-3-2-4-8-17)21(27)22(23)13-5-6-14-22/h9-12,17H,2-8,13-15H2,1H3
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 429n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...

Bioorg Med Chem Lett 26: 2676-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.010
BindingDB Entry DOI: 10.7270/Q2KS6TFV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435876
PNG
(CHEMBL2391074)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H20ClNO2S/c19-17-6-8-18(9-7-17)23(21,22)20-12-10-16(11-13-20)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2
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 551n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435882
PNG
(CHEMBL2391079)
Show SMILES Brc1ccc(\C=C\S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H22BrNO2S/c21-20-8-6-17(7-9-20)12-15-25(23,24)22-13-10-19(11-14-22)16-18-4-2-1-3-5-18/h1-9,12,15,19H,10-11,13-14,16H2/b15-12+
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 843n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50170565
PNG
(CHEMBL3806283)
Show SMILES COc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C22CCCCC2)c(OC)c1
Show InChI InChI=1S/C24H32N2O5/c1-30-18-11-12-19(20(15-18)31-2)22(28)25-16-21(27)26(17-9-5-3-6-10-17)23(29)24(25)13-7-4-8-14-24/h11-12,15,17H,3-10,13-14,16H2,1-2H3
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 968n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...

Bioorg Med Chem Lett 26: 2676-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.010
BindingDB Entry DOI: 10.7270/Q2KS6TFV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435877
PNG
(CHEMBL2391075)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H19ClN2O2S/c18-16-6-8-17(9-7-16)23(21,22)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2
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 969n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50435883
PNG
(CHEMBL2391080)
Show SMILES Brc1ccc(\C=C\S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C19H21BrN2O2S/c20-19-8-6-17(7-9-19)10-15-25(23,24)22-13-11-21(12-14-22)16-18-4-2-1-3-5-18/h1-10,15H,11-14,16H2/b15-10+
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 1.08E+3n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...

Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50170566
PNG
(CHEMBL3806038)
Show SMILES COc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCCCC1
Show InChI InChI=1S/C23H30N2O4/c1-29-19-12-10-17(11-13-19)21(27)24-16-20(26)25(18-8-4-2-5-9-18)22(28)23(24)14-6-3-7-15-23/h10-13,18H,2-9,14-16H2,1H3
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 1.37E+3n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...

Bioorg Med Chem Lett 26: 2676-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.010
BindingDB Entry DOI: 10.7270/Q2KS6TFV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50170467
PNG
(CHEMBL3805305)
Show SMILES CC(C)(C)C1CCC2(CC1)N(CC(=O)N(C1CCCCC1)C2=O)C(=O)c1ccccc1 |(-1.05,-5.27,;.01,-4.64,;1.08,-5.25,;.02,-5.88,;,-3.1,;-1.33,-2.31,;-1.33,-.77,;;1.31,-.77,;1.31,-2.31,;1.31,.75,;1.31,2.33,;,3.08,;0,4.32,;-1.33,2.33,;-2.66,3.11,;-4.01,2.36,;-5.33,3.14,;-5.31,4.68,;-3.97,5.44,;-2.65,4.65,;-1.33,.75,;-2.4,.13,;2.64,-.04,;2.62,-1.27,;3.98,.72,;5.31,-.07,;6.65,.69,;6.67,2.23,;5.34,3.01,;4,2.26,)|
Show InChI InChI=1S/C26H36N2O3/c1-25(2,3)20-14-16-26(17-15-20)24(31)28(21-12-8-5-9-13-21)22(29)18-27(26)23(30)19-10-6-4-7-11-19/h4,6-7,10-11,20-21H,5,8-9,12-18H2,1-3H3
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 7.90E+3n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...

Bioorg Med Chem Lett 26: 2676-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.010
BindingDB Entry DOI: 10.7270/Q2KS6TFV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50170452
PNG
(CHEMBL3805975)
Show SMILES COc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCC(CC1)C(C)(C)C |(8.02,4.22,;8.01,2.98,;6.67,2.23,;6.65,.69,;5.31,-.07,;3.98,.72,;4,2.26,;5.34,3.01,;2.64,-.04,;2.62,-1.27,;1.31,.75,;1.31,2.33,;,3.08,;0,4.32,;-1.33,2.33,;-2.66,3.11,;-4.01,2.36,;-5.33,3.14,;-5.31,4.68,;-3.97,5.44,;-2.65,4.65,;-1.33,.75,;-2.4,.13,;;-1.33,-.77,;-1.33,-2.31,;,-3.1,;1.31,-2.31,;1.31,-.77,;.01,-4.64,;-1.05,-5.27,;1.08,-5.25,;.02,-5.88,)|
Show InChI InChI=1S/C27H38N2O4/c1-26(2,3)20-14-16-27(17-15-20)25(32)29(21-8-6-5-7-9-21)23(30)18-28(27)24(31)19-10-12-22(33-4)13-11-19/h10-13,20-21H,5-9,14-18H2,1-4H3
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 9.37E+3n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...

Bioorg Med Chem Lett 26: 2676-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.010
BindingDB Entry DOI: 10.7270/Q2KS6TFV
More data for this
Ligand-Target Pair
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