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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50036150   
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


(Homo sapiens (Human))
BDBM50040283
PNG
(3-Chloro-6-dimethylamino-6-methyl-8-phenyl-5,6,7,8...)
Show SMILES CN(C)[C@@H]1C[C@@H](c2ccccc2)c2cc(O)c(Cl)cc2C1
Show InChI InChI=1S/C18H20ClNO/c1-20(2)14-8-13-9-17(19)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,21H,8,10H2,1-2H3/t14-,15-/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040287
PNG
((1R,3S)Dimethyl-(2-methyl-4-phenyl-1,2,3,4-tetrahy...)
Show SMILES CN(C)[C@]1(C)C[C@@H](c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C19H23N/c1-19(20(2)3)13-16-11-7-8-12-17(16)18(14-19)15-9-5-4-6-10-15/h4-12,18H,13-14H2,1-3H3/t18-,19-/m0/s1
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n/an/a 0.510n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040287
PNG
((1R,3S)Dimethyl-(2-methyl-4-phenyl-1,2,3,4-tetrahy...)
Show SMILES CN(C)[C@]1(C)C[C@@H](c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C19H23N/c1-19(20(2)3)13-16-11-7-8-12-17(16)18(14-19)15-9-5-4-6-10-15/h4-12,18H,13-14H2,1-3H3/t18-,19-/m0/s1
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n/an/a 0.510n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 from rat striatal homogenates, using [3H]SCH-23390 as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040282
PNG
(CHEMBL317029 | CHEMBL545249 | cis-3-Chloro-6-dimet...)
Show SMILES CN(C)C1CC(c2ccccc2)c2cc(O)c(Cl)cc2C1
Show InChI InChI=1S/C18H20ClNO/c1-20(2)14-8-13-9-17(19)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,21H,8,10H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040290
PNG
(CHEMBL553745 | cis-Dimethyl-(4-phenyl-1,2,3,4-tetr...)
Show SMILES CN(C)C1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3
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n/an/a 3.5n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040292
PNG
(CHEMBL323287 | CHEMBL544309 | trans-Diethyl-(4-phe...)
Show SMILES CCN(CC)C1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C20H25N/c1-3-21(4-2)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-5-7-11-16/h5-13,18,20H,3-4,14-15H2,1-2H3
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n/an/a 4.5n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040288
PNG
(CHEMBL540038 | trans-Allyl-methyl-(4-phenyl-1,2,3,...)
Show SMILES CN(CC=C)C1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C20H23N/c1-3-13-21(2)18-14-17-11-7-8-12-19(17)20(15-18)16-9-5-4-6-10-16/h3-12,18,20H,1,13-15H2,2H3
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n/an/a 8.90n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50406988
PNG
(CHEMBL2093895)
Show SMILES CN(C)[C@@]1(C)C[C@H](c2ccccc2)c2ccccc2C1 |r|
Show InChI InChI=1S/C19H23N/c1-19(20(2)3)13-16-11-7-8-12-17(16)18(14-19)15-9-5-4-6-10-15/h4-12,18H,13-14H2,1-3H3/t18-,19-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040284
PNG
(3-Chloro-6-methylamino-8-phenyl-5,6,7,8-tetrahydro...)
Show SMILES CNC1CC(c2ccccc2)c2cc(O)c(Cl)cc2C1
Show InChI InChI=1S/C17H18ClNO/c1-19-13-7-12-8-16(18)17(20)10-15(12)14(9-13)11-5-3-2-4-6-11/h2-6,8,10,13-14,19-20H,7,9H2,1H3
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n/an/a 21n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040285
PNG
(CHEMBL539274 | trans-Diallyl-(4-phenyl-1,2,3,4-tet...)
Show SMILES C=CCN(CC=C)C1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C22H25N/c1-3-14-23(15-4-2)20-16-19-12-8-9-13-21(19)22(17-20)18-10-6-5-7-11-18/h3-13,20,22H,1-2,14-17H2
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n/an/a 27n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040281
PNG
(CHEMBL105645 | CHEMBL543134 | cis-7-Dimethylamino-...)
Show SMILES CN(C)C1CC(c2ccccc2)c2cc(O)c(O)cc2C1
Show InChI InChI=1S/C18H21NO2/c1-19(2)14-8-13-9-17(20)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,20-21H,8,10H2,1-2H3
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n/an/a 34n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040281
PNG
(CHEMBL105645 | CHEMBL543134 | cis-7-Dimethylamino-...)
Show SMILES CN(C)C1CC(c2ccccc2)c2cc(O)c(O)cc2C1
Show InChI InChI=1S/C18H21NO2/c1-19(2)14-8-13-9-17(20)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,20-21H,8,10H2,1-2H3
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n/an/a 34.3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040286
PNG
(CHEMBL542419 | trans-Allyl-(4-phenyl-1,2,3,4-tetra...)
Show SMILES C=CCNC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C19H21N/c1-2-12-20-17-13-16-10-6-7-11-18(16)19(14-17)15-8-4-3-5-9-15/h2-11,17,19-20H,1,12-14H2
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n/an/a 117n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040286
PNG
(CHEMBL542419 | trans-Allyl-(4-phenyl-1,2,3,4-tetra...)
Show SMILES C=CCNC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C19H21N/c1-2-12-20-17-13-16-10-6-7-11-18(16)19(14-17)15-8-4-3-5-9-15/h2-11,17,19-20H,1,12-14H2
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n/an/a 117n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040292
PNG
(CHEMBL323287 | CHEMBL544309 | trans-Diethyl-(4-phe...)
Show SMILES CCN(CC)C1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C20H25N/c1-3-21(4-2)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-5-7-11-16/h5-13,18,20H,3-4,14-15H2,1-2H3
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n/an/a 207n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040285
PNG
(CHEMBL539274 | trans-Diallyl-(4-phenyl-1,2,3,4-tet...)
Show SMILES C=CCN(CC=C)C1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C22H25N/c1-3-14-23(15-4-2)20-16-19-12-8-9-13-21(19)22(17-20)18-10-6-5-7-11-18/h3-13,20,22H,1-2,14-17H2
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n/an/a 538n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50040284
PNG
(3-Chloro-6-methylamino-8-phenyl-5,6,7,8-tetrahydro...)
Show SMILES CNC1CC(c2ccccc2)c2cc(O)c(Cl)cc2C1
Show InChI InChI=1S/C17H18ClNO/c1-19-13-7-12-8-16(18)17(20)10-15(12)14(9-13)11-5-3-2-4-6-11/h2-6,8,10,13-14,19-20H,7,9H2,1H3
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n/an/a 849n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 from rat striatal homogenates, using [3H]SCH-23,390 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040290
PNG
(CHEMBL553745 | cis-Dimethyl-(4-phenyl-1,2,3,4-tetr...)
Show SMILES CN(C)C1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3
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n/an/a 960n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040282
PNG
(CHEMBL317029 | CHEMBL545249 | cis-3-Chloro-6-dimet...)
Show SMILES CN(C)C1CC(c2ccccc2)c2cc(O)c(Cl)cc2C1
Show InChI InChI=1S/C18H20ClNO/c1-20(2)14-8-13-9-17(19)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,21H,8,10H2,1-2H3
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n/an/a 1.48E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50040287
PNG
((1R,3S)Dimethyl-(2-methyl-4-phenyl-1,2,3,4-tetrahy...)
Show SMILES CN(C)[C@]1(C)C[C@@H](c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C19H23N/c1-19(20(2)3)13-16-11-7-8-12-17(16)18(14-19)15-9-5-4-6-10-15/h4-12,18H,13-14H2,1-3H3/t18-,19-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 from rat striatal homogenates using [3H]YM-09151-2


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040288
PNG
(CHEMBL540038 | trans-Allyl-methyl-(4-phenyl-1,2,3,...)
Show SMILES CN(CC=C)C1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C20H23N/c1-3-13-21(2)18-14-17-11-7-8-12-19(17)20(15-18)16-9-5-4-6-10-16/h3-12,18,20H,1,13-15H2,2H3
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n/an/a 1.55E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50406988
PNG
(CHEMBL2093895)
Show SMILES CN(C)[C@@]1(C)C[C@H](c2ccccc2)c2ccccc2C1 |r|
Show InChI InChI=1S/C19H23N/c1-19(20(2)3)13-16-11-7-8-12-17(16)18(14-19)15-9-5-4-6-10-15/h4-12,18H,13-14H2,1-3H3/t18-,19-/m1/s1
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n/an/a 1.79E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50040283
PNG
(3-Chloro-6-dimethylamino-6-methyl-8-phenyl-5,6,7,8...)
Show SMILES CN(C)[C@@H]1C[C@@H](c2ccccc2)c2cc(O)c(Cl)cc2C1
Show InChI InChI=1S/C18H20ClNO/c1-20(2)14-8-13-9-17(19)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,21H,8,10H2,1-2H3/t14-,15-/m0/s1
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n/an/a 1.89E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 from rat striatal homogenates, using [3H]SCH-23,390 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040291
PNG
(CHEMBL316267 | Dimethyl-(1-phenyl-1,2,3,4-tetrahyd...)
Show SMILES CN(C)[C@H]1CCc2ccccc2[C@H]1c1ccccc1
Show InChI InChI=1S/C18H21N/c1-19(2)17-13-12-14-8-6-7-11-16(14)18(17)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-,18+/m0/s1
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n/an/a 2.76E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50040287
PNG
((1R,3S)Dimethyl-(2-methyl-4-phenyl-1,2,3,4-tetrahy...)
Show SMILES CN(C)[C@]1(C)C[C@@H](c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C19H23N/c1-19(20(2)3)13-16-11-7-8-12-17(16)18(14-19)15-9-5-4-6-10-15/h4-12,18H,13-14H2,1-3H3/t18-,19-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 from rat striatal homogenates, using [3H]SCH-23390 as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040289
PNG
(CHEMBL544078 | trans-4-Phenyl-1,2,3,4-tetrahydro-n...)
Show SMILES NC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C16H17N/c17-14-10-13-8-4-5-9-15(13)16(11-14)12-6-2-1-3-7-12/h1-9,14,16H,10-11,17H2
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n/an/a 3.31E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040291
PNG
(CHEMBL316267 | Dimethyl-(1-phenyl-1,2,3,4-tetrahyd...)
Show SMILES CN(C)[C@H]1CCc2ccccc2[C@H]1c1ccccc1
Show InChI InChI=1S/C18H21N/c1-19(2)17-13-12-14-8-6-7-11-16(14)18(17)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-,18+/m0/s1
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n/an/a 3.34E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040283
PNG
(3-Chloro-6-dimethylamino-6-methyl-8-phenyl-5,6,7,8...)
Show SMILES CN(C)[C@@H]1C[C@@H](c2ccccc2)c2cc(O)c(Cl)cc2C1
Show InChI InChI=1S/C18H20ClNO/c1-20(2)14-8-13-9-17(19)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,21H,8,10H2,1-2H3/t14-,15-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50040285
PNG
(CHEMBL539274 | trans-Diallyl-(4-phenyl-1,2,3,4-tet...)
Show SMILES C=CCN(CC=C)C1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C22H25N/c1-3-14-23(15-4-2)20-16-19-12-8-9-13-21(19)22(17-20)18-10-6-5-7-11-18/h3-13,20,22H,1-2,14-17H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 from rat striatal homogenates using [3H]YM-09151-2


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50040283
PNG
(3-Chloro-6-dimethylamino-6-methyl-8-phenyl-5,6,7,8...)
Show SMILES CN(C)[C@@H]1C[C@@H](c2ccccc2)c2cc(O)c(Cl)cc2C1
Show InChI InChI=1S/C18H20ClNO/c1-20(2)14-8-13-9-17(19)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,21H,8,10H2,1-2H3/t14-,15-/m0/s1
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n/an/a 4.13E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 from rat striatal homogenates using [3H]YM-09151-2


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50040281
PNG
(CHEMBL105645 | CHEMBL543134 | cis-7-Dimethylamino-...)
Show SMILES CN(C)C1CC(c2ccccc2)c2cc(O)c(O)cc2C1
Show InChI InChI=1S/C18H21NO2/c1-19(2)14-8-13-9-17(20)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,20-21H,8,10H2,1-2H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 from rat striatal homogenates using [3H]YM-09151-2


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50040281
PNG
(CHEMBL105645 | CHEMBL543134 | cis-7-Dimethylamino-...)
Show SMILES CN(C)C1CC(c2ccccc2)c2cc(O)c(O)cc2C1
Show InChI InChI=1S/C18H21NO2/c1-19(2)14-8-13-9-17(20)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,20-21H,8,10H2,1-2H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 from rat striatal homogenates using [3H]YM-09151-2


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040287
PNG
((1R,3S)Dimethyl-(2-methyl-4-phenyl-1,2,3,4-tetrahy...)
Show SMILES CN(C)[C@]1(C)C[C@@H](c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C19H23N/c1-19(20(2)3)13-16-11-7-8-12-17(16)18(14-19)15-9-5-4-6-10-15/h4-12,18H,13-14H2,1-3H3/t18-,19-/m0/s1
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n/an/a 5.31E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 from rat striatal homogenates using [3H]YM-09151-2


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040287
PNG
((1R,3S)Dimethyl-(2-methyl-4-phenyl-1,2,3,4-tetrahy...)
Show SMILES CN(C)[C@]1(C)C[C@@H](c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C19H23N/c1-19(20(2)3)13-16-11-7-8-12-17(16)18(14-19)15-9-5-4-6-10-15/h4-12,18H,13-14H2,1-3H3/t18-,19-/m0/s1
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n/an/a 5.31E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50040286
PNG
(CHEMBL542419 | trans-Allyl-(4-phenyl-1,2,3,4-tetra...)
Show SMILES C=CCNC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C19H21N/c1-2-12-20-17-13-16-10-6-7-11-18(16)19(14-17)15-8-4-3-5-9-15/h2-11,17,19-20H,1,12-14H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 from rat striatal homogenates using [3H]YM-09151-2


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040280
PNG
(CHEMBL538263 | cis-7-Amino-5-phenyl-5,6,7,8-tetrah...)
Show SMILES NC1CC(c2ccccc2)c2cc(O)c(O)cc2C1
Show InChI InChI=1S/C16H17NO2/c17-12-6-11-7-15(18)16(19)9-14(11)13(8-12)10-4-2-1-3-5-10/h1-5,7,9,12-13,18-19H,6,8,17H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040284
PNG
(3-Chloro-6-methylamino-8-phenyl-5,6,7,8-tetrahydro...)
Show SMILES CNC1CC(c2ccccc2)c2cc(O)c(Cl)cc2C1
Show InChI InChI=1S/C17H18ClNO/c1-19-13-7-12-8-16(18)17(20)10-15(12)14(9-13)11-5-3-2-4-6-11/h2-6,8,10,13-14,19-20H,7,9H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040281
PNG
(CHEMBL105645 | CHEMBL543134 | cis-7-Dimethylamino-...)
Show SMILES CN(C)C1CC(c2ccccc2)c2cc(O)c(O)cc2C1
Show InChI InChI=1S/C18H21NO2/c1-19(2)14-8-13-9-17(20)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,20-21H,8,10H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040280
PNG
(CHEMBL538263 | cis-7-Amino-5-phenyl-5,6,7,8-tetrah...)
Show SMILES NC1CC(c2ccccc2)c2cc(O)c(O)cc2C1
Show InChI InChI=1S/C16H17NO2/c17-12-6-11-7-15(18)16(19)9-14(11)13(8-12)10-4-2-1-3-5-10/h1-5,7,9,12-13,18-19H,6,8,17H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50040281
PNG
(CHEMBL105645 | CHEMBL543134 | cis-7-Dimethylamino-...)
Show SMILES CN(C)C1CC(c2ccccc2)c2cc(O)c(O)cc2C1
Show InChI InChI=1S/C18H21NO2/c1-19(2)14-8-13-9-17(20)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,20-21H,8,10H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 from rat striatal homogenates, using [3H]SCH-23390 as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50040281
PNG
(CHEMBL105645 | CHEMBL543134 | cis-7-Dimethylamino-...)
Show SMILES CN(C)C1CC(c2ccccc2)c2cc(O)c(O)cc2C1
Show InChI InChI=1S/C18H21NO2/c1-19(2)14-8-13-9-17(20)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,20-21H,8,10H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50040289
PNG
(CHEMBL544078 | trans-4-Phenyl-1,2,3,4-tetrahydro-n...)
Show SMILES NC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C16H17N/c17-14-10-13-8-4-5-9-15(13)16(11-14)12-6-2-1-3-7-12/h1-9,14,16H,10-11,17H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 from rat striatal homogenates, using [3H]SCH-23390 as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040289
PNG
(CHEMBL544078 | trans-4-Phenyl-1,2,3,4-tetrahydro-n...)
Show SMILES NC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C16H17N/c17-14-10-13-8-4-5-9-15(13)16(11-14)12-6-2-1-3-7-12/h1-9,14,16H,10-11,17H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 from rat striatal homogenates using [3H]YM-09151-2


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50040289
PNG
(CHEMBL544078 | trans-4-Phenyl-1,2,3,4-tetrahydro-n...)
Show SMILES NC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C16H17N/c17-14-10-13-8-4-5-9-15(13)16(11-14)12-6-2-1-3-7-12/h1-9,14,16H,10-11,17H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 from rat striatal homogenates using [3H]YM-09151-2


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040281
PNG
(CHEMBL105645 | CHEMBL543134 | cis-7-Dimethylamino-...)
Show SMILES CN(C)C1CC(c2ccccc2)c2cc(O)c(O)cc2C1
Show InChI InChI=1S/C18H21NO2/c1-19(2)14-8-13-9-17(20)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,20-21H,8,10H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 from rat striatal homogenates, using [3H]SCH-23390 as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50040286
PNG
(CHEMBL542419 | trans-Allyl-(4-phenyl-1,2,3,4-tetra...)
Show SMILES C=CCNC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C19H21N/c1-2-12-20-17-13-16-10-6-7-11-18(16)19(14-17)15-8-4-3-5-9-15/h2-11,17,19-20H,1,12-14H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 from rat striatal homogenates, using [3H]SCH-23390 as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50040285
PNG
(CHEMBL539274 | trans-Diallyl-(4-phenyl-1,2,3,4-tet...)
Show SMILES C=CCN(CC=C)C1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C22H25N/c1-3-14-23(15-4-2)20-16-19-12-8-9-13-21(19)22(17-20)18-10-6-5-7-11-18/h3-13,20,22H,1-2,14-17H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 from rat striatal homogenates, using [3H]SCH-23390 as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50040284
PNG
(3-Chloro-6-methylamino-8-phenyl-5,6,7,8-tetrahydro...)
Show SMILES CNC1CC(c2ccccc2)c2cc(O)c(Cl)cc2C1
Show InChI InChI=1S/C17H18ClNO/c1-19-13-7-12-8-16(18)17(20)10-15(12)14(9-13)11-5-3-2-4-6-11/h2-6,8,10,13-14,19-20H,7,9H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 from rat striatal homogenates, using [3H]YM-09151-2 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040280
PNG
(CHEMBL538263 | cis-7-Amino-5-phenyl-5,6,7,8-tetrah...)
Show SMILES NC1CC(c2ccccc2)c2cc(O)c(O)cc2C1
Show InChI InChI=1S/C16H17NO2/c17-12-6-11-7-15(18)16(19)9-14(11)13(8-12)10-4-2-1-3-5-10/h1-5,7,9,12-13,18-19H,6,8,17H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50040280
PNG
(CHEMBL538263 | cis-7-Amino-5-phenyl-5,6,7,8-tetrah...)
Show SMILES NC1CC(c2ccccc2)c2cc(O)c(O)cc2C1
Show InChI InChI=1S/C16H17NO2/c17-12-6-11-7-15(18)16(19)9-14(11)13(8-12)10-4-2-1-3-5-10/h1-5,7,9,12-13,18-19H,6,8,17H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand.


J Med Chem 36: 2542-51 (1993)


BindingDB Entry DOI: 10.7270/Q2C53MGM
More data for this
Ligand-Target Pair
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