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Compile Data Set for Download or QSAR

Found 979 hits of ic50 data for polymerid = 50001358   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma opioid receptor


(Homo sapiens)
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 0.200n/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)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
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 0.200n/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)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421905
PNG
(CHEMBL553265)
Show SMILES C1CCC(CC1)N1CC[C@@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C19H27N/c1-2-7-17(8-3-1)20-13-12-19-16(14-20)11-10-15-6-4-5-9-18(15)19/h4-6,9,16-17,19H,1-3,7-8,10-14H2/t16-,19+/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50382166
PNG
(CHEMBL2023825)
Show SMILES C1CCC(CC1)N1CCN(CC1)c1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C33H44N2/c1-3-7-28(8-4-1)32(33-22-25-19-26(23-33)21-27(20-25)24-33)29-11-13-31(14-12-29)35-17-15-34(16-18-35)30-9-5-2-6-10-30/h1,3-4,7-8,11-14,25-27,30,32H,2,5-6,9-10,15-24H2
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n/an/a 0.270n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma-1 receptor expressed in human Jurkat cell membranes after 2 hrs by liquid scintillation spectroscopy


Citation and Details
More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421907
PNG
(CHEMBL540274)
Show SMILES C(Cc1ccccc1)N1CC[C@@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C21H25N/c1-2-6-17(7-3-1)12-14-22-15-13-21-19(16-22)11-10-18-8-4-5-9-20(18)21/h1-9,19,21H,10-16H2/t19-,21+/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50036730
PNG
(3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES Clc1ccc(cc1)C1=CCN(CCC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H20ClNO/c21-19-8-6-16(7-9-19)17-10-13-22(14-11-17)15-12-20(23)18-4-2-1-3-5-18/h1-10H,11-15H2
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n/an/a 0.5n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50054728
PNG
(1,4-Bis-(3-phenyl-propyl)-piperazine | CHEMBL34640...)
Show SMILES C(CN1CCN(CCCc2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C22H30N2/c1-3-9-21(10-4-1)13-7-15-23-17-19-24(20-18-23)16-8-14-22-11-5-2-6-12-22/h1-6,9-12H,7-8,13-20H2
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n/an/a 0.5n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor using radioligand ([3H](+)-pentazocine) binding assay


Citation and Details
More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM86029
PNG
(trans-H2-PAT(+))
Show SMILES CN(C)[C@@H]1C[C@@H](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/t16-,18-/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
The compound was tested for affinity towards sigma-3 receptor


J Med Chem 37: 4109-17 (1995)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM86029
PNG
(trans-H2-PAT(+))
Show SMILES CN(C)[C@@H]1C[C@@H](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/t16-,18-/m0/s1
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n/an/a 0.525n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
The compound was tested for affinity towards sigma-3 receptor


J Med Chem 37: 4109-17 (1995)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
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 0.708n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
The compound was tested for affinity towards sigma-3 receptor


J Med Chem 37: 4109-17 (1995)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
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 0.710n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
The compound was tested for affinity towards sigma-3 receptor


J Med Chem 37: 4109-17 (1995)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421946
PNG
(CHEMBL1788383)
Show SMILES C(N1CCC2(CCc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)20/h1-9H,10-16H2
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n/an/a 0.720n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50172914
PNG
((S)-2-(2-Piperidin-1-yl-ethyl)-3-thioxo-2,3,10,10a...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=S)n1CCN1CCCCC1
Show InChI InChI=1S/C18H23N3OS/c22-17-16-12-14-6-2-3-7-15(14)13-21(16)18(23)20(17)11-10-19-8-4-1-5-9-19/h2-3,6-7,22H,1,4-5,8-13H2
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n/an/a 0.900n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Citation and Details
More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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n/an/a 1n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
The compound was tested for affinity towards sigma-3 receptor


J Med Chem 37: 4109-17 (1995)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421940
PNG
(CHEMBL62770)
Show SMILES CC(C)=CCN1CCC2(CCCc3ccccc23)CC1
Show InChI InChI=1S/C19H27N/c1-16(2)9-13-20-14-11-19(12-15-20)10-5-7-17-6-3-4-8-18(17)19/h3-4,6,8-9H,5,7,10-15H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50282973
PNG
(4-Fluoro-N-{1-(4-fluoro-naphthalen-1-yl)-4-[4-(5-f...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)c2ccccc12
Show InChI InChI=1S/C28H28F3N5O2S/c29-20-7-9-22(10-8-20)39(37,38)34-27(25-11-12-26(31)24-5-2-1-4-23(24)25)6-3-13-35-14-16-36(17-15-35)28-32-18-21(30)19-33-28/h1-2,4-5,7-12,18-19,27,34H,3,6,13-17H2
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n/an/a>1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards sigma receptor by the displacement of [3H]-PPP from guinea pig brain


Citation and Details
More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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University of North Carolina

Curated by ChEMBL


Assay Description
The compound was tested for affinity towards sigma-3 receptor


J Med Chem 37: 4109-17 (1995)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421906
PNG
(CHEMBL544281)
Show SMILES CC(C)=CCN1CC[C@@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C18H25N/c1-14(2)9-11-19-12-10-18-16(13-19)8-7-15-5-3-4-6-17(15)18/h3-6,9,16,18H,7-8,10-13H2,1-2H3/t16-,18+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50170657
PNG
(1''-butyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-p...)
Show SMILES CCCCN1CCC2(CCCc3ccccc23)CC1
Show InChI InChI=1S/C18H27N/c1-2-3-13-19-14-11-18(12-15-19)10-6-8-16-7-4-5-9-17(16)18/h4-5,7,9H,2-3,6,8,10-15H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421930
PNG
(CHEMBL1788382)
Show SMILES CC(C)=CCN1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C18H25N/c1-15(2)8-12-19-13-10-18(11-14-19)9-7-16-5-3-4-6-17(16)18/h3-6,8H,7,9-14H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50170660
PNG
(CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...)
Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3
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n/an/a 1.30n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.


J Med Chem 42: 3965-70 (1999)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421932
PNG
(CHEMBL1743999)
Show SMILES C(C1CCCCC1)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C20H29N/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)20/h4-5,8-9,17H,1-3,6-7,10-16H2
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n/an/a 1.30n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421939
PNG
(CHEMBL1744003)
Show SMILES Cc1ccc(CN2CCC3(CCCc4ccccc34)CC2)cc1
Show InChI InChI=1S/C22H27N/c1-18-8-10-19(11-9-18)17-23-15-13-22(14-16-23)12-4-6-20-5-2-3-7-21(20)22/h2-3,5,7-11H,4,6,12-17H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421895
PNG
(CHEMBL555890)
Show SMILES C1CCC(CC1)N1CCC2C(C1)CCCc1ccccc21
Show InChI InChI=1S/C20H29N/c1-2-10-18(11-3-1)21-14-13-20-17(15-21)9-6-8-16-7-4-5-12-19(16)20/h4-5,7,12,17-18,20H,1-3,6,8-11,13-15H2
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n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421954
PNG
(CHEMBL1744015)
Show SMILES CCCCCCN1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C19H29N/c1-2-3-4-7-14-20-15-12-19(13-16-20)11-10-17-8-5-6-9-18(17)19/h5-6,8-9H,2-4,7,10-16H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50081380
PNG
(CHEMBL553962 | [1-(4-Methoxy-3-phenethyloxy-benzyl...)
Show SMILES CCCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
Show InChI InChI=1S/C25H37NO2/c1-4-6-8-13-23(26-17-5-2)19-22-14-15-24(27-3)25(20-22)28-18-16-21-11-9-7-10-12-21/h7,9-12,14-15,20,23,26H,4-6,8,13,16-19H2,1-3H3
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n/an/a 1.5n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.


J Med Chem 42: 3965-70 (1999)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421903
PNG
(CHEMBL545212)
Show SMILES C=CCCN1CC[C@@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C17H23N/c1-2-3-11-18-12-10-17-15(13-18)9-8-14-6-4-5-7-16(14)17/h2,4-7,15,17H,1,3,8-13H2/t15-,17+/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421951
PNG
(CHEMBL1744002)
Show SMILES COc1ccc(CN2CCC3(CCCc4ccccc34)CC2)cc1
Show InChI InChI=1S/C22H27NO/c1-24-20-10-8-18(9-11-20)17-23-15-13-22(14-16-23)12-4-6-19-5-2-3-7-21(19)22/h2-3,5,7-11H,4,6,12-17H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50081366
PNG
(CHEMBL540331 | [1-(4-Methoxy-3-phenethyloxy-benzyl...)
Show SMILES CCCNC(CCC(C)C)Cc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C25H37NO2/c1-5-16-26-23(13-11-20(2)3)18-22-12-14-24(27-4)25(19-22)28-17-15-21-9-7-6-8-10-21/h6-10,12,14,19-20,23,26H,5,11,13,15-18H2,1-4H3
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n/an/a 1.80n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.


J Med Chem 42: 3965-70 (1999)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421913
PNG
(CHEMBL545682)
Show SMILES C(N1CC[C@@H]2[C@@H](CCc3ccccc23)C1)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-2-6-16(7-3-1)14-21-13-12-20-18(15-21)11-10-17-8-4-5-9-19(17)20/h1-9,18,20H,10-15H2/t18-,20+/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421899
PNG
(CHEMBL545688)
Show SMILES CCCCN1CCC2=C(Cc3ccccc23)C1
Show InChI InChI=1S/C16H21N/c1-2-3-9-17-10-8-16-14(12-17)11-13-6-4-5-7-15(13)16/h4-7H,2-3,8-12H2,1H3
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n/an/a 1.90n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421926
PNG
(CHEMBL541052)
Show SMILES COc1ccc(CN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1
Show InChI InChI=1S/C21H25NO/c1-23-19-10-6-16(7-11-19)14-22-13-12-21-18(15-22)9-8-17-4-2-3-5-20(17)21/h2-7,10-11,18,21H,8-9,12-15H2,1H3/t18-,21+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50282974
PNG
(CHEMBL58283 | N-{1-Cyclohexyl-4-[4-(5-fluoro-pyrim...)
Show SMILES Fc1ccc(cc1)C(=O)NC(CCCN1CCN(CC1)c1ncc(F)cn1)C1CCCCC1
Show InChI InChI=1S/C25H33F2N5O/c26-21-10-8-20(9-11-21)24(33)30-23(19-5-2-1-3-6-19)7-4-12-31-13-15-32(16-14-31)25-28-17-22(27)18-29-25/h8-11,17-19,23H,1-7,12-16H2,(H,30,33)
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n/an/a>2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards sigma receptor by the displacement of [3H]-PPP from guinea pig brain


Citation and Details
More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421945
PNG
(CHEMBL1744017)
Show SMILES CCCCN1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C17H25N/c1-2-3-12-18-13-10-17(11-14-18)9-8-15-6-4-5-7-16(15)17/h4-7H,2-3,8-14H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421915
PNG
(CHEMBL544748)
Show SMILES CCCCN1CC[C@@H]2[C@@H](CCc3c(C)cc(C)cc23)C1
Show InChI InChI=1S/C19H29N/c1-4-5-9-20-10-8-18-16(13-20)6-7-17-15(3)11-14(2)12-19(17)18/h11-12,16,18H,4-10,13H2,1-3H3/t16-,18+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50003743
PNG
((-)-[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-(2-pyrr...)
Show SMILES CN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C19H28Cl2N2/c1-22(13-10-15-8-9-16(20)17(21)14-15)18-6-2-3-7-19(18)23-11-4-5-12-23/h8-9,14,18-19H,2-7,10-13H2,1H3/t18-,19+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 2.10n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Citation and Details
More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421894
PNG
(CHEMBL555581)
Show SMILES CCCCN1CCC2C(C1)CCCc1ccccc21
Show InChI InChI=1S/C18H27N/c1-2-3-12-19-13-11-18-16(14-19)9-6-8-15-7-4-5-10-17(15)18/h4-5,7,10,16,18H,2-3,6,8-9,11-14H2,1H3
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50081369
PNG
(CHEMBL128860 | CHEMBL541091 | [1-(4-Methoxy-3-phen...)
Show SMILES CCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
Show InChI InChI=1S/C24H35NO2/c1-4-6-12-22(25-16-5-2)18-21-13-14-23(26-3)24(19-21)27-17-15-20-10-8-7-9-11-20/h7-11,13-14,19,22,25H,4-6,12,15-18H2,1-3H3
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n/an/a 2.10n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.


J Med Chem 42: 3965-70 (1999)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Citation and Details
More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50172886
PNG
((S)-2-[3-(Methyl-phenethyl-amino)-propyl]-10,10a-d...)
Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)CCc1ccccc1
Show InChI InChI=1S/C23H27N3O2/c1-24(15-12-18-8-3-2-4-9-18)13-7-14-25-22(27)21-16-19-10-5-6-11-20(19)17-26(21)23(25)28/h2-6,8-11,27H,7,12-17H2,1H3
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Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Citation and Details
More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
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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University of North Carolina

Curated by ChEMBL


Assay Description
The compound was tested for affinity towards sigma-3 receptor


J Med Chem 37: 4109-17 (1995)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM79172
PNG
(2-[4-[(3Z)-3-[2-(trifluoromethyl)-9-thioxanthenyli...)
Show SMILES OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-
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University of North Carolina

Curated by ChEMBL


Assay Description
The compound was tested for affinity towards sigma-3 receptor


J Med Chem 37: 4109-17 (1995)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421929
PNG
(CHEMBL544987)
Show SMILES C1CN(C[C@@H]2CCc3ccccc3[C@H]12)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2
Show InChI InChI=1S/C23H31N/c1-2-4-21-17(3-1)5-6-18-14-24(8-7-22(18)21)23-19-10-15-9-16(12-19)13-20(23)11-15/h1-4,15-16,18-20,22-23H,5-14H2/t15-,16+,18-,19-,20+,22+,23?/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421904
PNG
(CHEMBL553561)
Show SMILES C1CN(C[C@@H]2CCc3ccccc3[C@H]12)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C23H31N/c1-2-4-21-19(3-1)5-6-20-15-24(8-7-22(20)21)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18,20,22H,5-15H2/t16-,17+,18-,20-,22+,23?/m0/s1
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PubMed
n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421934
PNG
(CHEMBL1744000)
Show SMILES C(C1CCCCC1)N1CCC2(CCCc3ccccc23)CC1
Show InChI InChI=1S/C21H31N/c1-2-7-18(8-3-1)17-22-15-13-21(14-16-22)12-6-10-19-9-4-5-11-20(19)21/h4-5,9,11,18H,1-3,6-8,10,12-17H2
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PubMed
n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50172884
PNG
((S)-2-(1-Benzyl-piperidin-4-yl)-10,10a-dihydro-5H-...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H25N3O2/c27-22-21-14-18-8-4-5-9-19(18)16-25(21)23(28)26(22)20-10-12-24(13-11-20)15-17-6-2-1-3-7-17/h1-9,20,27H,10-16H2
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Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Citation and Details
More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50421914
PNG
(CHEMBL543810)
Show SMILES C(C1CC1)N1CC[C@@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C17H23N/c1-2-4-16-14(3-1)7-8-15-12-18(10-9-17(15)16)11-13-5-6-13/h1-4,13,15,17H,5-12H2/t15-,17+/m0/s1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)

More data for this
Ligand-Target Pair
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