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Compile Data Set for Download or QSAR

Found 192 hits with Last Name = 'smith' and Initial = 'jd'   
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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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 0.600n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.

J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50368228
PNG
(CHEMBL1907650)
Show SMILES C[C@@H](Cc1ccccc1)N(C)CCCCCc1ccccc1 |r|
Show InChI InChI=1S/C21H29N/c1-19(18-21-15-8-4-9-16-21)22(2)17-11-5-10-14-20-12-6-3-7-13-20/h3-4,6-9,12-13,15-16,19H,5,10-11,14,17-18H2,1-2H3/t19-/m0/s1
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 2.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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 3.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.

J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50018459
PNG
(1-(7-Methoxy-naphthalen-1-yl)-piperazine | 4-(7-Me...)
Show SMILES COc1ccc2cccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C15H18N2O/c1-18-13-6-5-12-3-2-4-15(14(12)11-13)17-9-7-16-8-10-17/h2-6,11,16H,7-10H2,1H3
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 3.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.

J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50009049
PNG
((+/-)(1-Methyl-2-phenyl-ethyl)-(4-phenyl-butyl)-am...)
Show SMILES CC(Cc1ccccc1)NCCCCc1ccccc1
Show InChI InChI=1S/C19H25N/c1-17(16-19-13-6-3-7-14-19)20-15-9-8-12-18-10-4-2-5-11-18/h2-7,10-11,13-14,17,20H,8-9,12,15-16H2,1H3
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 3.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50006981
PNG
(CHEMBL19841 | [1-Methyl-2-(3-trifluoromethyl-pheny...)
Show SMILES CC(Cc1cccc(c1)C(F)(F)F)NCCCc1ccccc1
Show InChI InChI=1S/C19H22F3N/c1-15(23-12-6-10-16-7-3-2-4-8-16)13-17-9-5-11-18(14-17)19(20,21)22/h2-5,7-9,11,14-15,23H,6,10,12-13H2,1H3
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 3.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50041276
PNG
(CHEMBL20302 | Methyl-((S)-1-methyl-2-phenyl-ethyl)...)
Show SMILES C[C@@H](Cc1ccccc1)N(C)CCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-7-4-8-12-18)19(2)14-13-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3/t16-/m0/s1
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 4.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in guinea pig cerebral homogenate using [3H]haloperidol as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50041245
PNG
(((S)-1-Methyl-2-phenyl-ethyl)-phenethyl-amine | CH...)
Show SMILES C[C@@H](Cc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m0/s1
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 4.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50018456
PNG
(2-{5-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-pentyl}...)
Show SMILES COc1ccccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C24H29N3O3/c1-30-22-12-6-5-11-21(22)26-17-15-25(16-18-26)13-7-2-8-14-27-23(28)19-9-3-4-10-20(19)24(27)29/h3-6,9-12H,2,7-8,13-18H2,1H3
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 5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-HT 1A receptor by measuring ability to displace [3H]-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat stria...

J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		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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 5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50006982
PNG
(CHEMBL281619 | [2-(3-Bromo-phenyl)-1-methyl-ethyl]...)
Show SMILES CC(Cc1cccc(Br)c1)NCCCc1ccccc1
Show InChI InChI=1S/C18H22BrN/c1-15(13-17-9-5-11-18(19)14-17)20-12-6-10-16-7-3-2-4-8-16/h2-5,7-9,11,14-15,20H,6,10,12-13H2,1H3
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 6n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50006974
PNG
(CHEMBL53253 | [1-Methyl-2-(4-propyl-phenyl)-ethyl]...)
Show SMILES CCCc1ccc(CC(C)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C21H29N/c1-3-8-19-12-14-21(15-13-19)17-18(2)22-16-7-11-20-9-5-4-6-10-20/h4-6,9-10,12-15,18,22H,3,7-8,11,16-17H2,1-2H3
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 6.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50041266
PNG
(((S)-1-Methyl-2-phenyl-ethyl)-(5-phenyl-pentyl)-am...)
Show SMILES C[C@@H](Cc1ccccc1)NCCCCCc1ccccc1
Show InChI InChI=1S/C20H27N/c1-18(17-20-14-7-3-8-15-20)21-16-10-4-9-13-19-11-5-2-6-12-19/h2-3,5-8,11-12,14-15,18,21H,4,9-10,13,16-17H2,1H3/t18-/m0/s1
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 6.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50006972
PNG
((1-Methyl-2-naphthalen-2-yl-ethyl)-(3-phenyl-propy...)
Show SMILES CC(Cc1ccc2ccccc2c1)NCCCc1ccccc1
Show InChI InChI=1S/C22H25N/c1-18(23-15-7-10-19-8-3-2-4-9-19)16-20-13-14-21-11-5-6-12-22(21)17-20/h2-6,8-9,11-14,17-18,23H,7,10,15-16H2,1H3
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 6.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50041271
PNG
(((S)-1-Methyl-2-phenyl-ethyl)-(4-phenyl-butyl)-ami...)
Show SMILES C[C@@H](Cc1ccccc1)NCCCCc1ccccc1
Show InChI InChI=1S/C19H25N/c1-17(16-19-13-6-3-7-14-19)20-15-9-8-12-18-10-4-2-5-11-18/h2-7,10-11,13-14,17,20H,8-9,12,15-16H2,1H3/t17-/m0/s1
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 6.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50041276
PNG
(CHEMBL20302 | Methyl-((S)-1-methyl-2-phenyl-ethyl)...)
Show SMILES C[C@@H](Cc1ccccc1)N(C)CCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-7-4-8-12-18)19(2)14-13-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3/t16-/m0/s1
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 6.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50006969
PNG
(CHEMBL20768 | [2-(4-Ethoxy-phenyl)-1-methyl-ethyl]...)
Show SMILES CCOc1ccc(CC(C)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C20H27NO/c1-3-22-20-13-11-19(12-14-20)16-17(2)21-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,17,21H,3,7,10,15-16H2,1-2H3
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 6.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Opioid activity in terms of inhibition of [3H]dihydromorphine binding to opioid receptor mu in rat brain membrane.

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50006968
PNG
((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...)
Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1
Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2
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 7.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50006970
PNG
(CHEMBL293952 | [2-(4-Iodo-phenyl)-1-methyl-ethyl]-...)
Show SMILES CC(Cc1ccc(I)cc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H22IN/c1-15(14-17-9-11-18(19)12-10-17)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,20H,5,8,13-14H2,1H3
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 8.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Opioid activity in terms of inhibition of [3H]dihydromorphine binding to opioid receptor mu in rat brain membrane.

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50018452
PNG
(2-[5-(4-Phenyl-piperazin-1-yl)-pentyl]-isoindole-1...)
Show SMILES O=C1N(CCCCCN2CCN(CC2)c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C23H27N3O2/c27-22-20-11-5-6-12-21(20)23(28)26(22)14-8-2-7-13-24-15-17-25(18-16-24)19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2
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 8.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.

J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50006975
PNG
(CHEMBL19802 | [2-(4-Bromo-phenyl)-1-methyl-ethyl]-...)
Show SMILES CC(Cc1ccc(Br)cc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H22BrN/c1-15(14-17-9-11-18(19)12-10-17)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,20H,5,8,13-14H2,1H3
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 8.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50009049
PNG
((+/-)(1-Methyl-2-phenyl-ethyl)-(4-phenyl-butyl)-am...)
Show SMILES CC(Cc1ccccc1)NCCCCc1ccccc1
Show InChI InChI=1S/C19H25N/c1-17(16-19-13-6-3-7-14-19)20-15-9-8-12-18-10-4-2-5-11-18/h2-7,10-11,13-14,17,20H,8-9,12,15-16H2,1H3
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 9.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50006967
PNG
(CHEMBL53170 | [2-(4-Methoxy-phenyl)-1-methyl-ethyl...)
Show SMILES COc1ccc(CC(C)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C19H25NO/c1-16(15-18-10-12-19(21-2)13-11-18)20-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3
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 9.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Opioid activity in terms of inhibition of [3H]dihydromorphine binding to opioid receptor mu in rat brain membrane.

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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 10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.

J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50006978
PNG
(4-[2-(3-Phenyl-propylamino)-propyl]-phenol | CHEMB...)
Show SMILES CC(Cc1ccc(O)cc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H23NO/c1-15(14-17-9-11-18(20)12-10-17)19-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,19-20H,5,8,13-14H2,1H3
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 10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Opioid activity in terms of inhibition of [3H]dihydromorphine binding to opioid receptor mu in rat brain membrane.

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50018458
PNG
(2-[4-(4-Phenyl-piperazin-1-yl)-butyl]-isoindole-1,...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H25N3O2/c26-21-19-10-4-5-11-20(19)22(27)25(21)13-7-6-12-23-14-16-24(17-15-23)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2
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 10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.

J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50018449
PNG
(2-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-isoindole-1,...)
Show SMILES O=C1N(CCN2CCN(CC2)c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C20H21N3O2/c24-19-17-8-4-5-9-18(17)20(25)23(19)15-12-21-10-13-22(14-11-21)16-6-2-1-3-7-16/h1-9H,10-15H2
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 11n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.

J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50006973
PNG
(CHEMBL298758 | [2-(3,4-Dichloro-phenyl)-1-methyl-e...)
Show SMILES CC(Cc1ccc(Cl)c(Cl)c1)NCCCc1ccccc1
Show InChI InChI=1S/C18H21Cl2N/c1-14(12-16-9-10-17(19)18(20)13-16)21-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,13-14,21H,5,8,11-12H2,1H3
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 12n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50041279
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-am...)
Show SMILES C[C@H](Cc1ccccc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15H2,1H3/t16-/m1/s1
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 14n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50041276
PNG
(CHEMBL20302 | Methyl-((S)-1-methyl-2-phenyl-ethyl)...)
Show SMILES C[C@@H](Cc1ccccc1)N(C)CCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-7-4-8-12-18)19(2)14-13-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3/t16-/m0/s1
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 16n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50041279
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-am...)
Show SMILES C[C@H](Cc1ccccc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15H2,1H3/t16-/m1/s1
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 17n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in guinea pig cerebral homogenate using [3H]haloperidol as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50006971
PNG
((1-Methyl-2-naphthalen-1-yl-ethyl)-(3-phenyl-propy...)
Show SMILES CC(Cc1cccc2ccccc12)NCCCc1ccccc1
Show InChI InChI=1S/C22H25N/c1-18(23-16-8-11-19-9-3-2-4-10-19)17-21-14-7-13-20-12-5-6-15-22(20)21/h2-7,9-10,12-15,18,23H,8,11,16-17H2,1H3
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 18n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50018457
PNG
(2-{4-[2-(5-Methoxy-1H-indol-3-yl)-ethylamino]-buty...)
Show SMILES COc1ccc2[nH]cc(CCNCCCCN3C(=O)c4ccccc4C3=O)c2c1
Show InChI InChI=1S/C23H25N3O3/c1-29-17-8-9-21-20(14-17)16(15-25-21)10-12-24-11-4-5-13-26-22(27)18-6-2-3-7-19(18)23(26)28/h2-3,6-9,14-15,24-25H,4-5,10-13H2,1H3
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 20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.

J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50006980
PNG
((3-Phenyl-propyl)-(1,2,3,4-tetrahydro-naphthalen-2...)
Show SMILES C(CNC1CCc2ccccc2C1)Cc1ccccc1
Show InChI InChI=1S/C19H23N/c1-2-7-16(8-3-1)9-6-14-20-19-13-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-11,19-20H,6,9,12-15H2
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 20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50041261
PNG
(((S)-1-Methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-am...)
Show SMILES C[C@@H](Cc1ccccc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15H2,1H3/t16-/m0/s1
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 22n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50041279
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-am...)
Show SMILES C[C@H](Cc1ccccc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15H2,1H3/t16-/m1/s1
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 22n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50041261
PNG
(((S)-1-Methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-am...)
Show SMILES C[C@@H](Cc1ccccc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15H2,1H3/t16-/m0/s1
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 22n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50018451
PNG
(2-{4-[3-(Naphthalen-1-yloxy)-propylamino]-butyl}-i...)
Show SMILES O=C1N(CCCCNCCCOc2cccc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C25H26N2O3/c28-24-21-12-3-4-13-22(21)25(29)27(24)17-6-5-15-26-16-8-18-30-23-14-7-10-19-9-1-2-11-20(19)23/h1-4,7,9-14,26H,5-6,8,15-18H2
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 25n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.

J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50006976
PNG
(CHEMBL54808 | [2-(4-Benzyloxy-phenyl)-1-methyl-eth...)
Show SMILES CC(Cc1ccc(OCc2ccccc2)cc1)NCCCc1ccccc1
Show InChI InChI=1S/C25H29NO/c1-21(26-18-8-13-22-9-4-2-5-10-22)19-23-14-16-25(17-15-23)27-20-24-11-6-3-7-12-24/h2-7,9-12,14-17,21,26H,8,13,18-20H2,1H3
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 27n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Opioid activity in terms of inhibition of [3H]dihydromorphine binding to opioid receptor mu in rat brain membrane.

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50006977
PNG
(CHEMBL55317 | Indan-2-yl-(3-phenyl-propyl)-amine)
Show SMILES C(CNC1Cc2ccccc2C1)Cc1ccccc1
Show InChI InChI=1S/C18H21N/c1-2-7-15(8-3-1)9-6-12-19-18-13-16-10-4-5-11-17(16)14-18/h1-5,7-8,10-11,18-19H,6,9,12-14H2
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 27n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50041279
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-am...)
Show SMILES C[C@H](Cc1ccccc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15H2,1H3/t16-/m1/s1
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 28n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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 29n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Opioid activity in terms of inhibition of [3H]dihydromorphine binding to opioid receptor mu in rat brain membrane.

J Med Chem 34: 1855-9 (1991)


BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50041245
PNG
(((S)-1-Methyl-2-phenyl-ethyl)-phenethyl-amine | CH...)
Show SMILES C[C@@H](Cc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m0/s1
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 31n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50368224
PNG
(CHEMBL1907648)
Show SMILES C[C@H](Cc1ccccc1)NCCOc1ccccc1 |r|
Show InChI InChI=1S/C17H21NO/c1-15(14-16-8-4-2-5-9-16)18-12-13-19-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3/t15-/m1/s1
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 32n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50018463
PNG
(1-(2-Methoxy-naphthalen-1-yl)-piperazine | CHEMBL2...)
Show SMILES COc1ccc2ccccc2c1N1CCNCC1
Show InChI InChI=1S/C15H18N2O/c1-18-14-7-6-12-4-2-3-5-13(12)15(14)17-10-8-16-9-11-17/h2-7,16H,8-11H2,1H3
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 34n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.

J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50368224
PNG
(CHEMBL1907648)
Show SMILES C[C@H](Cc1ccccc1)NCCOc1ccccc1 |r|
Show InChI InChI=1S/C17H21NO/c1-15(14-16-8-4-2-5-9-16)18-12-13-19-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3/t15-/m1/s1
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 45n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50018468
PNG
(2-{3-[3-(Naphthalen-1-yloxy)-propylamino]-propyl}-...)
Show SMILES O=C1N(CCCNCCCOc2cccc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C24H24N2O3/c27-23-20-11-3-4-12-21(20)24(28)26(23)16-6-14-25-15-7-17-29-22-13-5-9-18-8-1-2-10-19(18)22/h1-5,8-13,25H,6-7,14-17H2
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 45n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-HT 1A receptor by measuring ability to displace [3H]-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat stria...

J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50041254
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-phenethyl-amine | CH...)
Show SMILES C[C@H](Cc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m1/s1
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 46n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50018454
PNG
(2-[3-(8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES COc1cccc2CCC(Cc12)NCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H24N2O3/c1-27-20-9-4-6-15-10-11-16(14-19(15)20)23-12-5-13-24-21(25)17-7-2-3-8-18(17)22(24)26/h2-4,6-9,16,23H,5,10-14H2,1H3
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 48n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.

J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50368229
PNG
(CHEMBL1907647)
Show SMILES C[C@H](Cc1ccccc1)NCCC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C18H21NO/c1-15(14-16-8-4-2-5-9-16)19-13-12-18(20)17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3/t15-/m1/s1
PDB

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antibodypedia
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 56n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand

J Med Chem 34: 1094-8 (1991)


BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
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