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PubMed code 1648139

Compile data set for download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
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


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)		BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C
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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)		BDBM81924
PNG
((R)-3-(1-Propyl-piperidin-3-yl)-phenol | 3PPP(+/-)...)
Show SMILES CCCN1CCCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3
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 79n/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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)		BDBM50006979
PNG
((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...)
Show SMILES C(CNC1CCCc2ccccc2C1)Cc1ccccc1
Show InChI InChI=1S/C20H25N/c1-2-8-17(9-3-1)10-7-15-21-20-14-6-13-18-11-4-5-12-19(18)16-20/h1-5,8-9,11-12,20-21H,6-7,10,13-16H2
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 83n/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)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)		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 3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against Sigma opioid receptor

J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		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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n/an/a 1.79E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D2 in rat striata using [3H]domperidone as radioligand

J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		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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n/an/a 3.80E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D2 in rat striata using [3H]domperidone as radioligand

J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		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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n/an/a 5.80E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D2 in rat striata using [3H]domperidone as radioligand

J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		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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n/an/a 9.32E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D2 in rat striata using [3H]domperidone as radioligand

J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)		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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n/an/a>1.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D1 using [3H]SCH-23390 as radioligand

J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)		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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n/an/a>1.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro binding affinity at PCP binding site of Sigma opioid receptor using (+)-[3H]-NANM as radioligand

J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)		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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n/an/a>1.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro binding affinity at PCP binding site of sigma-opioid receptors using (+)-[3H]-MK-801 as radioligand

J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)		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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n/an/a>1.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D1 using [3H]SCH-23390 as radioligand

J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)		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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n/an/a>1.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro binding affinity at PCP binding site of sigma-opioid receptors using (+)-[3H]-MK-801 as radioligand

J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)		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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n/an/a>1.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro binding affinity at PCP binding site of Sigma opioid receptor using (+)-[3H]-NANM as radioligand

J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)		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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n/an/a>1.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D1 using [3H]SCH-23390 as radioligand

J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)		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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n/an/a>1.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D1 using [3H]SCH-23390 as radioligand

J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%