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PubMed code 8201608

Compile data set for download or QSAR
Found 28 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


(RAT)
BDBM50367445
PNG
(CHEMBL49597)
Show SMILES CCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-2-14-8-4-6-12(10-14)11-5-3-7-13(15)9-11/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3/t12-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50453369
PNG
(CHEMBL48218)
Show SMILES CCc1ccc(cc1)N1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C19H23NO/c1-2-15-8-10-18(11-9-15)20-12-4-6-17(14-20)16-5-3-7-19(21)13-16/h3,5,7-11,13,17,21H,2,4,6,12,14H2,1H3/t17-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367445
PNG
(CHEMBL49597)
Show SMILES CCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-2-14-8-4-6-12(10-14)11-5-3-7-13(15)9-11/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3/t12-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](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/t13-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50452348
PNG
(CHEMBL8033)
Show SMILES Oc1cccc(c1)[C@@H]1CCCNC1
Show InChI InChI=1S/C11H15NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h1,3,5,7,10,12-13H,2,4,6,8H2/t10-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50452349
PNG
(CHEMBL46256)
Show SMILES CN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C12H17NO/c1-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2,4,6,8,11,14H,3,5,7,9H2,1H3/t11-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50452349
PNG
(CHEMBL46256)
Show SMILES CN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C12H17NO/c1-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2,4,6,8,11,14H,3,5,7,9H2,1H3/t11-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367441
PNG
(CHEMBL8268)
Show SMILES Oc1cccc(c1)[C@H]1CCCNC1
Show InChI InChI=1S/C11H15NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h1,3,5,7,10,12-13H,2,4,6,8H2/t10-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](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/t13-/m1/s1
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n/an/a 417n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367443
PNG
(CHEMBL45778)
Show SMILES CCCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-2-3-9-16-10-5-7-14(12-16)13-6-4-8-15(17)11-13/h4,6,8,11,14,17H,2-3,5,7,9-10,12H2,1H3/t14-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50367446
PNG
(CHEMBL49617)
Show SMILES CN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C12H17NO/c1-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2,4,6,8,11,14H,3,5,7,9H2,1H3/t11-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367442
PNG
(CHEMBL424223)
Show SMILES CC(C)N1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-11(2)15-8-4-6-13(10-15)12-5-3-7-14(16)9-12/h3,5,7,9,11,13,16H,4,6,8,10H2,1-2H3/t13-/m1/s1
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n/an/a 450n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367447
PNG
(CHEMBL47750)
Show SMILES CCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-2-14-8-4-6-12(10-14)11-5-3-7-13(15)9-11/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3/t12-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367440
PNG
(CHEMBL48219)
Show SMILES CCCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-2-3-9-16-10-5-7-14(12-16)13-6-4-8-15(17)11-13/h4,6,8,11,14,17H,2-3,5,7,9-10,12H2,1H3/t14-/m1/s1
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n/an/a 560n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367446
PNG
(CHEMBL49617)
Show SMILES CN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C12H17NO/c1-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2,4,6,8,11,14H,3,5,7,9H2,1H3/t11-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50367444
PNG
(CHEMBL432125)
Show SMILES CC(C)N1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-11(2)15-8-4-6-13(10-15)12-5-3-7-14(16)9-12/h3,5,7,9,11,13,16H,4,6,8,10H2,1-2H3/t13-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50367441
PNG
(CHEMBL8268)
Show SMILES Oc1cccc(c1)[C@H]1CCCNC1
Show InChI InChI=1S/C11H15NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h1,3,5,7,10,12-13H,2,4,6,8H2/t10-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50367442
PNG
(CHEMBL424223)
Show SMILES CC(C)N1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-11(2)15-8-4-6-13(10-15)12-5-3-7-14(16)9-12/h3,5,7,9,11,13,16H,4,6,8,10H2,1-2H3/t13-/m1/s1
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n/an/a 680n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](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/t13-/m1/s1
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n/an/a 810n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50367447
PNG
(CHEMBL47750)
Show SMILES CCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-2-14-8-4-6-12(10-14)11-5-3-7-13(15)9-11/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3/t12-/m0/s1
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n/an/a 950n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367444
PNG
(CHEMBL432125)
Show SMILES CC(C)N1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-11(2)15-8-4-6-13(10-15)12-5-3-7-14(16)9-12/h3,5,7,9,11,13,16H,4,6,8,10H2,1-2H3/t13-/m0/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50452348
PNG
(CHEMBL8033)
Show SMILES Oc1cccc(c1)[C@@H]1CCCNC1
Show InChI InChI=1S/C11H15NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h1,3,5,7,10,12-13H,2,4,6,8H2/t10-/m1/s1
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n/an/a 1.19E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50453368
PNG
(CHEMBL47900)
Show SMILES CCc1ccc(cc1)N1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C19H23NO/c1-2-15-8-10-18(11-9-15)20-12-4-6-17(14-20)16-5-3-7-19(21)13-16/h3,5,7-11,13,17,21H,2,4,6,12,14H2,1H3/t17-/m1/s1
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n/an/a 1.36E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50367440
PNG
(CHEMBL48219)
Show SMILES CCCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-2-3-9-16-10-5-7-14(12-16)13-6-4-8-15(17)11-13/h4,6,8,11,14,17H,2-3,5,7,9-10,12H2,1H3/t14-/m1/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](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/t13-/m0/s1
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MCE
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n/an/a 1.52E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50453368
PNG
(CHEMBL47900)
Show SMILES CCc1ccc(cc1)N1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C19H23NO/c1-2-15-8-10-18(11-9-15)20-12-4-6-17(14-20)16-5-3-7-19(21)13-16/h3,5,7-11,13,17,21H,2,4,6,12,14H2,1H3/t17-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50367443
PNG
(CHEMBL45778)
Show SMILES CCCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-2-3-9-16-10-5-7-14(12-16)13-6-4-8-15(17)11-13/h4,6,8,11,14,17H,2-3,5,7,9-10,12H2,1H3/t14-/m0/s1
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n/an/a 2.05E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50453369
PNG
(CHEMBL48218)
Show SMILES CCc1ccc(cc1)N1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C19H23NO/c1-2-15-8-10-18(11-9-15)20-12-4-6-17(14-20)16-5-3-7-19(21)13-16/h3,5,7-11,13,17,21H,2,4,6,12,14H2,1H3/t17-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%