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Compile Data Set for Download or QSAR

Found 592 hits with Last Name = 'christos' and Initial = 'te'   
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
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074439
PNG
(1-(2-Bromo-4,6-dimethoxy-phenyl)-4,6-dimethyl-1H-p...)
Show SMILES COc1cc(Br)c(c(OC)c1)-n1ccc2c(C)cc(C)nc12 |(12.47,-15.06,;10.97,-14.75,;10.48,-13.3,;11.5,-12.14,;11.01,-10.69,;12.02,-9.53,;9.5,-10.37,;8.48,-11.53,;6.98,-11.21,;5.96,-12.35,;8.97,-12.98,;9.03,-8.92,;9.92,-7.66,;9.01,-6.42,;7.54,-6.91,;6.21,-6.14,;6.21,-4.6,;4.88,-6.91,;4.88,-8.45,;3.55,-9.22,;6.21,-9.22,;7.56,-8.45,)|
Show InChI InChI=1S/C17H17BrN2O2/c1-10-7-11(2)19-17-13(10)5-6-20(17)16-14(18)8-12(21-3)9-15(16)22-4/h5-9H,1-4H3
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1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50283327
PNG
(1-Cyclopropylmethyl-4-[2-(3-phenyl-prop-2-ynyloxy)...)
Show SMILES C(CC1CCN(CC2CC2)CC1)OCC#Cc1ccccc1
Show InChI InChI=1S/C20H27NO/c1-2-5-18(6-3-1)7-4-15-22-16-12-19-10-13-21(14-11-19)17-20-8-9-20/h1-3,5-6,19-20H,8-17H2
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor using [3H]-(+)-SKF-10,047 as radioligand


Bioorg Med Chem Lett 4: 2347-2352 (1994)


Article DOI: 10.1016/0960-894X(94)85038-0
BindingDB Entry DOI: 10.7270/Q2S75G8F
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002254
PNG
(2-(1-Benzyl-piperidin-4-yl)-1-(4-fluoro-phenyl)-et...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H22FNO/c21-19-8-6-18(7-9-19)20(23)14-16-10-12-22(13-11-16)15-17-4-2-1-3-5-17/h1-9,16H,10-15H2
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1n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002207
PNG
(1-Cyclopropylmethyl-4-(4-fluoro-phenoxymethyl)-pip...)
Show SMILES Fc1ccc(OCC2CCN(CC3CC3)CC2)cc1
Show InChI InChI=1S/C16H22FNO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2
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2n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074349
PNG
((2-Bromo-4-isopropyl-phenyl)-ethyl-[4-(1-ethyl-pro...)
Show SMILES CCC(CC)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H30BrN3/c1-7-16(8-2)19-12-15(6)23-21(24-19)25(9-3)20-11-10-17(14(4)5)13-18(20)22/h10-14,16H,7-9H2,1-6H3
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2n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant corticotropin releasing factor receptor 1


J Med Chem 42: 805-18 (1999)


Article DOI: 10.1021/jm980222w
BindingDB Entry DOI: 10.7270/Q29S1Q63
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002219
PNG
(1-Benzyl-4-cyclopropoxymethyl-piperidine; compound...)
Show SMILES C(OC1CC1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C16H23NO/c1-2-4-14(5-3-1)12-17-10-8-15(9-11-17)13-18-16-6-7-16/h1-5,15-16H,6-13H2
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2n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002232
PNG
(1-Benzyl-4-(4-phenyl-butoxymethyl)-piperidine; hyd...)
Show SMILES C(CCc1ccccc1)COCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H31NO/c1-3-9-21(10-4-1)11-7-8-18-25-20-23-14-16-24(17-15-23)19-22-12-5-2-6-13-22/h1-6,9-10,12-13,23H,7-8,11,14-20H2
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2n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002275
PNG
(1-Benzyl-4-(3-phenyl-propoxy)-piperidine; compound...)
Show SMILES C(COC1CCN(Cc2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-8-19(9-4-1)12-7-17-23-21-13-15-22(16-14-21)18-20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2
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2n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002252
PNG
(1-Benzyl-4-(4-fluoro-phenoxymethyl)-piperidine; hy...)
Show SMILES Fc1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C19H22FNO/c20-18-6-8-19(9-7-18)22-15-17-10-12-21(13-11-17)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2
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2n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002241
PNG
(1-(4-Chloro-benzyl)-4-(4-fluoro-benzyloxymethyl)-p...)
Show SMILES Fc1ccc(COCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1
Show InChI InChI=1S/C20H23ClFNO/c21-19-5-1-16(2-6-19)13-23-11-9-18(10-12-23)15-24-14-17-3-7-20(22)8-4-17/h1-8,18H,9-15H2
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2n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002190
PNG
(1-Benzyl-4-(4-fluoro-benzyloxymethyl)-piperidine; ...)
Show SMILES Fc1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H24FNO/c21-20-8-6-18(7-9-20)15-23-16-19-10-12-22(13-11-19)14-17-4-2-1-3-5-17/h1-9,19H,10-16H2
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2n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002229
PNG
(1-Benzyl-4-cyclohexyloxymethyl-piperidine; hydroch...)
Show SMILES C(OC1CCCCC1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H29NO/c1-3-7-17(8-4-1)15-20-13-11-18(12-14-20)16-21-19-9-5-2-6-10-19/h1,3-4,7-8,18-19H,2,5-6,9-16H2
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2n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002292
PNG
(4-[4-(4-Fluoro-benzyloxymethyl)-piperidin-1-ylmeth...)
Show SMILES Fc1ccc(COCC2CCN(Cc3ccncc3)CC2)cc1
Show InChI InChI=1S/C19H23FN2O/c20-19-3-1-17(2-4-19)14-23-15-18-7-11-22(12-8-18)13-16-5-9-21-10-6-16/h1-6,9-10,18H,7-8,11-15H2
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2n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50283336
PNG
(4-{2-[3-(4-Fluoro-phenyl)-prop-2-ynyloxy]-ethyl}-1...)
Show SMILES Fc1ccc(cc1)C#CCOCCC1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C24H28FNO/c25-24-10-8-22(9-11-24)7-4-19-27-20-15-23-13-17-26(18-14-23)16-12-21-5-2-1-3-6-21/h1-3,5-6,8-11,23H,12-20H2
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor using [3H]-(+)-SKF-10,047 as radioligand


Bioorg Med Chem Lett 4: 2347-2352 (1994)


Article DOI: 10.1016/0960-894X(94)85038-0
BindingDB Entry DOI: 10.7270/Q2S75G8F
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002303
PNG
(1-Cyclopropylmethyl-4-(3,4-difluoro-phenoxymethyl)...)
Show SMILES Fc1ccc(OCC2CCN(CC3CC3)CC2)cc1F
Show InChI InChI=1S/C16H21F2NO/c17-15-4-3-14(9-16(15)18)20-11-13-5-7-19(8-6-13)10-12-1-2-12/h3-4,9,12-13H,1-2,5-8,10-11H2
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2n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002235
PNG
(1-Benzyl-4-(4-trifluoromethyl-phenoxymethyl)-piper...)
Show SMILES FC(F)(F)c1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H22F3NO/c21-20(22,23)18-6-8-19(9-7-18)25-15-17-10-12-24(13-11-17)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2
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2n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002209
PNG
(1-(2,2-Dichloro-1-methyl-cyclopropylmethyl)-4-(4-f...)
Show SMILES CC1(CN2CCC(COc3ccc(F)cc3)CC2)CC1(Cl)Cl
Show InChI InChI=1S/C17H22Cl2FNO/c1-16(11-17(16,18)19)12-21-8-6-13(7-9-21)10-22-15-4-2-14(20)3-5-15/h2-5,13H,6-12H2,1H3
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2n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50283398
PNG
((1-Benzyl-piperidin-4-yl)-(3-phenyl-prop-2-ynyl)-a...)
Show SMILES C(NC1CCN(Cc2ccccc2)CC1)C#Cc1ccccc1
Show InChI InChI=1S/C21H24N2/c1-3-8-19(9-4-1)12-7-15-22-21-13-16-23(17-14-21)18-20-10-5-2-6-11-20/h1-6,8-11,21-22H,13-18H2
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibiton of [3H]-(+)-SKF-10,047 binding to sigma receptor


Bioorg Med Chem Lett 4: 329-334 (1994)


Article DOI: 10.1016/S0960-894X(01)80138-4
BindingDB Entry DOI: 10.7270/Q20R9PBC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50283400
PNG
((1-Benzyl-piperidin-4-yl)-methyl-((E)-3-phenyl-all...)
Show SMILES CN(C\C=C\c1ccccc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H28N2/c1-23(16-8-13-20-9-4-2-5-10-20)22-14-17-24(18-15-22)19-21-11-6-3-7-12-21/h2-13,22H,14-19H2,1H3/b13-8+
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibiton of [3H]-(+)-SKF-10,047 binding to sigma receptor


Bioorg Med Chem Lett 4: 329-334 (1994)


Article DOI: 10.1016/S0960-894X(01)80138-4
BindingDB Entry DOI: 10.7270/Q20R9PBC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002197
PNG
(1-(1-Benzyl-piperidin-4-yl)-3-(4-fluoro-phenyl)-pr...)
Show SMILES Fc1ccc(CC(=O)CC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H24FNO/c22-20-8-6-17(7-9-20)14-21(24)15-18-10-12-23(13-11-18)16-19-4-2-1-3-5-19/h1-9,18H,10-16H2
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3n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002217
PNG
(2-[1-(4-Fluoro-benzyl)-piperidin-4-yl]-1-(4-fluoro...)
Show SMILES Fc1ccc(CN2CCC(CC(=O)c3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C20H21F2NO/c21-18-5-1-16(2-6-18)14-23-11-9-15(10-12-23)13-20(24)17-3-7-19(22)8-4-17/h1-8,15H,9-14H2
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3n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002272
PNG
(1-(2-Cyclopropyl-ethyl)-4-(4-fluoro-phenoxymethyl)...)
Show SMILES Fc1ccc(OCC2CCN(CCC3CC3)CC2)cc1
Show InChI InChI=1S/C17H24FNO/c18-16-3-5-17(6-4-16)20-13-15-8-11-19(12-9-15)10-7-14-1-2-14/h3-6,14-15H,1-2,7-13H2
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3n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002187
PNG
(1-(1-Benzyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-et...)
Show SMILES OC(Cc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24FNO/c21-19-8-6-16(7-9-19)14-20(23)18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18,20,23H,10-15H2
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3n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002263
PNG
(1-Cyclohexylmethyl-4-(4-fluoro-benzyloxymethyl)-pi...)
Show SMILES Fc1ccc(COCC2CCN(CC3CCCCC3)CC2)cc1
Show InChI InChI=1S/C20H30FNO/c21-20-8-6-18(7-9-20)15-23-16-19-10-12-22(13-11-19)14-17-4-2-1-3-5-17/h6-9,17,19H,1-5,10-16H2
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3n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074354
PNG
(CHEMBL168131 | N,N-Diallyl-N'-(2-bromo-4-dimethyla...)
Show SMILES CCN(c1nc(C)nc(n1)N(CC=C)CC=C)c1ccc(cc1Br)N(C)C
Show InChI InChI=1S/C20H27BrN6/c1-7-12-26(13-8-2)19-22-15(4)23-20(24-19)27(9-3)18-11-10-16(25(5)6)14-17(18)21/h7-8,10-11,14H,1-2,9,12-13H2,3-6H3
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3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant corticotropin releasing factor receptor 1


J Med Chem 42: 805-18 (1999)


Article DOI: 10.1021/jm980222w
BindingDB Entry DOI: 10.7270/Q29S1Q63
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002250
PNG
(1-(4-Fluoro-phenyl)-2-[1-(4-trifluoromethyl-benzyl...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(Cc2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C21H21F4NO/c22-19-7-3-17(4-8-19)20(27)13-15-9-11-26(12-10-15)14-16-1-5-18(6-2-16)21(23,24)25/h1-8,15H,9-14H2
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3n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002284
PNG
(1-Benzyl-4-(4-methoxy-phenoxymethyl)-piperidine | ...)
Show SMILES COc1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H25NO2/c1-22-19-7-9-20(10-8-19)23-16-18-11-13-21(14-12-18)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3
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3n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002280
PNG
(1-(1-Benzyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-et...)
Show SMILES Fc1ccc(CC(=O)C2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H22FNO/c21-19-8-6-16(7-9-19)14-20(23)18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18H,10-15H2
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3n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002268
PNG
(1-Benzyl-4-(3-phenyl-propoxymethyl)-piperidine; co...)
Show SMILES C(COCC1CCN(Cc2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C22H29NO/c1-3-8-20(9-4-1)12-7-17-24-19-22-13-15-23(16-14-22)18-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2
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3.20n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C


(Mus musculus (Mouse))
BDBM50002288
PNG
(1-(4-Fluoro-phenyl)-2-{1-[2-(4-trifluoromethyl-phe...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CCc2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C22H23F4NO/c23-20-7-3-18(4-8-20)21(28)15-17-10-13-27(14-11-17)12-9-16-1-5-19(6-2-16)22(24,25)26/h1-8,17H,9-15H2
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3.30n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin 5-hydroxytryptamine (5-HT) 2 receptors


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002267
PNG
(1-Benzyl-4-(4-methoxy-benzyloxymethyl)-piperidine;...)
Show SMILES COc1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H27NO2/c1-23-21-9-7-19(8-10-21)16-24-17-20-11-13-22(14-12-20)15-18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3
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3.5n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C


(Mus musculus (Mouse))
BDBM50002213
PNG
(1-(4-Fluoro-phenyl)-2-{1-[2-(1H-indol-3-yl)-ethyl]...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C23H25FN2O/c24-20-7-5-18(6-8-20)23(27)15-17-9-12-26(13-10-17)14-11-19-16-25-22-4-2-1-3-21(19)22/h1-8,16-17,25H,9-15H2
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3.60n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin 5-hydroxytryptamine (5-HT) 2 receptors


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002260
PNG
(1-Cyclopropylmethyl-4-(2,4-dichloro-phenoxymethyl)...)
Show SMILES Clc1ccc(OCC2CCN(CC3CC3)CC2)c(Cl)c1
Show InChI InChI=1S/C16H21Cl2NO/c17-14-3-4-16(15(18)9-14)20-11-13-5-7-19(8-6-13)10-12-1-2-12/h3-4,9,12-13H,1-2,5-8,10-11H2
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4n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002256
PNG
(4-(4-Fluoro-benzyloxymethyl)-1-naphthalen-2-ylmeth...)
Show SMILES Fc1ccc(COCC2CCN(Cc3ccc4ccccc4c3)CC2)cc1
Show InChI InChI=1S/C24H26FNO/c25-24-9-6-19(7-10-24)17-27-18-20-11-13-26(14-12-20)16-21-5-8-22-3-1-2-4-23(22)15-21/h1-10,15,20H,11-14,16-18H2
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4n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002290
PNG
(1-Benzyl-4-[2-(4-fluoro-phenoxy)-ethyl]-piperidine...)
Show SMILES Fc1ccc(OCCC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H24FNO/c21-19-6-8-20(9-7-19)23-15-12-17-10-13-22(14-11-17)16-18-4-2-1-3-5-18/h1-9,17H,10-16H2
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4n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002293
PNG
(4-(4-Chloro-phenoxymethyl)-1-cyclopropylmethyl-pip...)
Show SMILES Clc1ccc(OCC2CCN(CC3CC3)CC2)cc1
Show InChI InChI=1S/C16H22ClNO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2
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4n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50283320
PNG
(1-Phenethyl-4-(3-phenyl-prop-2-ynyloxy)-piperidine...)
Show SMILES C(Cc1ccccc1)N1CCC(CC1)OCC#Cc1ccccc1
Show InChI InChI=1S/C22H25NO/c1-3-8-20(9-4-1)12-7-19-24-22-14-17-23(18-15-22)16-13-21-10-5-2-6-11-21/h1-6,8-11,22H,13-19H2
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor using [3H]-(+)-SKF-10,047 as radioligand


Bioorg Med Chem Lett 4: 2347-2352 (1994)


Article DOI: 10.1016/0960-894X(94)85038-0
BindingDB Entry DOI: 10.7270/Q2S75G8F
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50283329
PNG
(1-Benzyl-4-(3-phenyl-prop-2-ynyloxymethyl)-piperid...)
Show SMILES C(OCC1CCN(Cc2ccccc2)CC1)C#Cc1ccccc1
Show InChI InChI=1S/C22H25NO/c1-3-8-20(9-4-1)12-7-17-24-19-22-13-15-23(16-14-22)18-21-10-5-2-6-11-21/h1-6,8-11,22H,13-19H2
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor using [3H]-(+)-SKF-10,047 as radioligand


Bioorg Med Chem Lett 4: 2347-2352 (1994)


Article DOI: 10.1016/0960-894X(94)85038-0
BindingDB Entry DOI: 10.7270/Q2S75G8F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074391
PNG
(CHEMBL424555 | N,N-Diallyl-N'-(2-bromo-4-isopropyl...)
Show SMILES CCN(c1nc(C)nc(n1)N(CC=C)CC=C)c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H28BrN5/c1-7-12-26(13-8-2)20-23-16(6)24-21(25-20)27(9-3)19-11-10-17(15(4)5)14-18(19)22/h7-8,10-11,14-15H,1-2,9,12-13H2,3-6H3
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4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant corticotropin releasing factor receptor 1


J Med Chem 42: 805-18 (1999)


Article DOI: 10.1021/jm980222w
BindingDB Entry DOI: 10.7270/Q29S1Q63
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002194
PNG
(4-(4-Fluoro-benzyloxymethyl)-1-phenethyl-piperidin...)
Show SMILES Fc1ccc(COCC2CCN(CCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H26FNO/c22-21-8-6-19(7-9-21)16-24-17-20-11-14-23(15-12-20)13-10-18-4-2-1-3-5-18/h1-9,20H,10-17H2
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4n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002222
PNG
(1-Benzyl-4-benzyloxymethyl-piperidine; hydrochlori...)
Show SMILES C(OCc1ccccc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H25NO/c1-3-7-18(8-4-1)15-21-13-11-20(12-14-21)17-22-16-19-9-5-2-6-10-19/h1-10,20H,11-17H2
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4n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50283402
PNG
(3-Phenyl-propynoic acid (1-benzyl-piperidin-4-yl)-...)
Show SMILES CN(C1CCN(Cc2ccccc2)CC1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C22H24N2O/c1-23(22(25)13-12-19-8-4-2-5-9-19)21-14-16-24(17-15-21)18-20-10-6-3-7-11-20/h2-11,21H,14-18H2,1H3
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibiton of [3H]-(+)-SKF-10,047 binding to sigma receptor


Bioorg Med Chem Lett 4: 329-334 (1994)


Article DOI: 10.1016/S0960-894X(01)80138-4
BindingDB Entry DOI: 10.7270/Q20R9PBC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002189
PNG
(2-(1-Benzyl-piperidin-4-yl)-1-(4-methoxy-phenyl)-e...)
Show SMILES COc1ccc(cc1)C(=O)CC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H25NO2/c1-24-20-9-7-19(8-10-20)21(23)15-17-11-13-22(14-12-17)16-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3
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4n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074332
PNG
(CHEMBL167463 | N,N-Diallyl-N'-(2-bromo-4-trifluoro...)
Show SMILES CCN(c1nc(C)nc(n1)N(CC=C)CC=C)c1ccc(OC(F)(F)F)cc1Br
Show InChI InChI=1S/C19H21BrF3N5O/c1-5-10-27(11-6-2)17-24-13(4)25-18(26-17)28(7-3)16-9-8-14(12-15(16)20)29-19(21,22)23/h5-6,8-9,12H,1-2,7,10-11H2,3-4H3
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4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant corticotropin releasing factor receptor 1


J Med Chem 42: 805-18 (1999)


Article DOI: 10.1021/jm980222w
BindingDB Entry DOI: 10.7270/Q29S1Q63
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074404
PNG
(CHEMBL168844 | N-(2-Bromo-4-isopropyl-phenyl)-N-et...)
Show SMILES CCCN(CCC)c1nc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H32BrN5/c1-7-12-26(13-8-2)20-23-16(6)24-21(25-20)27(9-3)19-11-10-17(15(4)5)14-18(19)22/h10-11,14-15H,7-9,12-13H2,1-6H3
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4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant corticotropin releasing factor receptor 1


J Med Chem 42: 805-18 (1999)


Article DOI: 10.1021/jm980222w
BindingDB Entry DOI: 10.7270/Q29S1Q63
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002225
PNG
(1-Benzyl-4-[2-(4-tert-butyl-benzyloxy)-ethyl]-pipe...)
Show SMILES CC(C)(C)c1ccc(COCCC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C25H35NO/c1-25(2,3)24-11-9-23(10-12-24)20-27-18-15-21-13-16-26(17-14-21)19-22-7-5-4-6-8-22/h4-12,21H,13-20H2,1-3H3
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4.5n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002286
PNG
(CHEMBL439609 | [3-(1-Cyclopropylmethyl-piperidin-4...)
Show SMILES CN(C)c1cccc(OCC2CCN(CC3CC3)CC2)c1
Show InChI InChI=1S/C18H28N2O/c1-19(2)17-4-3-5-18(12-17)21-14-16-8-10-20(11-9-16)13-15-6-7-15/h3-5,12,15-16H,6-11,13-14H2,1-2H3
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5n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074399
PNG
(CHEMBL354367 | N-(2-Bromo-4-trifluoromethoxy-pheny...)
Show SMILES CCCCN(CC)c1nc(C)nc(n1)N(CC)c1ccc(OC(F)(F)F)cc1Br
Show InChI InChI=1S/C19H25BrF3N5O/c1-5-8-11-27(6-2)17-24-13(4)25-18(26-17)28(7-3)16-10-9-14(12-15(16)20)29-19(21,22)23/h9-10,12H,5-8,11H2,1-4H3
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5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant corticotropin releasing factor receptor 1


J Med Chem 42: 805-18 (1999)


Article DOI: 10.1021/jm980222w
BindingDB Entry DOI: 10.7270/Q29S1Q63
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002264
PNG
(2-(1-Benzyl-piperidin-4-yl)-1-thiophen-2-yl-ethano...)
Show SMILES OC(CC1CCN(Cc2ccccc2)CC1)c1cccs1
Show InChI InChI=1S/C18H23NOS/c20-17(18-7-4-12-21-18)13-15-8-10-19(11-9-15)14-16-5-2-1-3-6-16/h1-7,12,15,17,20H,8-11,13-14H2
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5n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002216
PNG
(1-(2-Cyclopropyl-ethyl)-4-(4-fluoro-phenylsulfanyl...)
Show SMILES Fc1ccc(SCC2CCN(CCC3CC3)CC2)cc1
Show InChI InChI=1S/C17H24FNS/c18-16-3-5-17(6-4-16)20-13-15-8-11-19(12-9-15)10-7-14-1-2-14/h3-6,14-15H,1-2,7-13H2
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5n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
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