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Compile Data Set for Download or QSAR

Found 659 hits with Last Name = 'cain' and Initial = 'ga'   
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


(Rattus norvegicus (rat)-RAT)
BDBM50219966
PNG
(CHEMBL23959)
Show SMILES CC[C@H](C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)cc1Cl
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219965
PNG
(CHEMBL430913)
Show SMILES CC[C@@H](C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)cc1Cl
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50220479
PNG
(CHEMBL23342)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)cc1Cl
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0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219957
PNG
(CHEMBL3085294)
Show SMILES CCc1nc2c(ccnc2n1[C@H](C)C1CC1)-c1ccc(Cl)cc1Cl |r|
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0.600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50220478
PNG
(CHEMBL22622)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1cc(C)c(OC)cc1C
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0.600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219969
PNG
(CHEMBL23439)
Show SMILES CCC(CCOC)n1c(CC)nc2c(ccnc12)-c1ccc(cc1Cl)C(F)(F)F
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0.700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219954
PNG
(CHEMBL283993)
Show SMILES CCc1nc2c(ccnc2n1C(C)C1CCC1)-c1ccc(OC(F)F)cc1Cl
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0.700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219962
PNG
(CHEMBL431105)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)cc1C(F)(F)F
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0.700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219962
PNG
(CHEMBL431105)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)cc1C(F)(F)F
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0.740n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50220480
PNG
(CHEMBL22433)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)cc1C
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0.800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
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
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50220485
PNG
(CHEMBL23354)
Show SMILES CCc1nc2c(ccnc2n1C(C)C1CCC1)-c1ccc(Cl)cc1Cl
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219961
PNG
(CHEMBL23483)
Show SMILES CCC(CC)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)cc1Cl
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219967
PNG
(CHEMBL423475)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(cc1Cl)C(C)=O
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
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
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219963
PNG
(CHEMBL276971)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(cc1Cl)C(F)(F)F
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1.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219963
PNG
(CHEMBL276971)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(cc1Cl)C(F)(F)F
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1.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219970
PNG
(CHEMBL23950)
Show SMILES CCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)cc1Cl
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1.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219956
PNG
(CHEMBL282289)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(SC)cc1C(F)(F)F
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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219971
PNG
(CHEMBL23291)
Show SMILES CCc1nc2c(ccnc2n1C(CCOC)C1CC1)-c1ccc(Cl)cc1Cl
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1.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50220483
PNG
(CHEMBL22213)
Show SMILES CCc1nc2c(ncnc2n1C(C1CC1)C1CC1)-c1ccc(cc1Cl)C(F)(F)F
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1.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50220476
PNG
(CHEMBL280666)
Show SMILES CCC(CCOC)n1c(OC)nc2c(ccnc12)-c1ccc(OC(F)(F)F)cc1Cl
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1.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
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


(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


(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))
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))
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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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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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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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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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))
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
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
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50220475
PNG
(CHEMBL431886)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(cc1Cl)C(\C)=N/OC
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2.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50220481
PNG
(CHEMBL23178)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1cc(F)c(F)cc1Cl
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2.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219964
PNG
(CHEMBL23105)
Show SMILES CCc1nc2c(ccnc2n1C(CCOC)C1CCC1)-c1ccc(Cl)cc1Cl
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2.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




Bioorg Med Chem Lett 13: 125-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2CV9
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))
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))
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))
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))
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))
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))
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
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
Serotonin 2 (5-HT2) receptor


(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




J Med Chem 35: 4344-61 (1992)


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