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PubMed code 1535661

Compile data set for download or QSAR
Found 24 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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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PubMed
1.44n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor...


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005135
PNG
(1-(3-Chloro-phenyl)-4-hexyl-piperazine | CHEMBL279...)
Show SMILES CCCCCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C16H25ClN2/c1-2-3-4-5-9-18-10-12-19(13-11-18)16-8-6-7-15(17)14-16/h6-8,14H,2-5,9-13H2,1H3
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PubMed
2.67n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005127
PNG
(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
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3.40n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005140
PNG
(1-(3-Chloro-phenyl)-4-pentyl-piperazine | CHEMBL27...)
Show SMILES CCCCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C15H23ClN2/c1-2-3-4-8-17-9-11-18(12-10-17)15-7-5-6-14(16)13-15/h5-7,13H,2-4,8-12H2,1H3
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5.54n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005129
PNG
(1-(3-Chloro-phenyl)-4-octyl-piperazine | CHEMBL805...)
Show SMILES CCCCCCCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C18H29ClN2/c1-2-3-4-5-6-7-11-20-12-14-21(15-13-20)18-10-8-9-17(19)16-18/h8-10,16H,2-7,11-15H2,1H3
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11.3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor...


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005134
PNG
(1-Butyl-4-(3-chloro-phenyl)-piperazine | CHEMBL266...)
Show SMILES CCCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C14H21ClN2/c1-2-3-7-16-8-10-17(11-9-16)14-6-4-5-13(15)12-14/h4-6,12H,2-3,7-11H2,1H3
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18.4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005132
PNG
(4,4-Dimethyl-1-[4-(4-pyrimidin-2-yl-piperazin-1-yl...)
Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C1
Show InChI InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3
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31.8n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005123
PNG
(1-(3-Chloro-phenyl)-4-propyl-piperazine | 1-(3-Chl...)
Show SMILES CCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C13H19ClN2/c1-2-6-15-7-9-16(10-8-15)13-5-3-4-12(14)11-13/h3-5,11H,2,6-10H2,1H3
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122n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005133
PNG
(1-sec-Butyl-4-(3-chloro-phenyl)-piperazine | CHEMB...)
Show SMILES CCC(C)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C14H21ClN2/c1-3-12(2)16-7-9-17(10-8-16)14-6-4-5-13(15)11-14/h4-6,11-12H,3,7-10H2,1-2H3
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127n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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143n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005124
PNG
(1-(3-Chloro-phenyl)-4-methyl-piperazine | CHEMBL26...)
Show SMILES CN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C11H15ClN2/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8H2,1H3
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152n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005142
PNG
(1-(3-Chloro-phenyl)-4-isopropyl-piperazine | CHEMB...)
Show SMILES CC(C)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C13H19ClN2/c1-11(2)15-6-8-16(9-7-15)13-5-3-4-12(14)10-13/h3-5,10-11H,6-9H2,1-2H3
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159n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005131
PNG
(1-Benzyl-4-(3-chloro-phenyl)-piperazine | CHEMBL27...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H19ClN2/c18-16-7-4-8-17(13-16)20-11-9-19(10-12-20)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2
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166n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005143
PNG
(2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethanol | C...)
Show SMILES OCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C12H17ClN2O/c13-11-2-1-3-12(10-11)15-6-4-14(5-7-15)8-9-16/h1-3,10,16H,4-9H2
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202n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005139
PNG
(1-(3-Chloro-phenyl)-4-ethyl-piperazine | CHEMBL413...)
Show SMILES CCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C12H17ClN2/c1-2-14-6-8-15(9-7-14)12-5-3-4-11(13)10-12/h3-5,10H,2,6-9H2,1H3
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220n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005126
PNG
(1-Allyl-4-(3-chloro-phenyl)-piperazine | CHEMBL767...)
Show SMILES Clc1cccc(c1)N1CCN(CC=C)CC1
Show InChI InChI=1S/C13H17ClN2/c1-2-6-15-7-9-16(10-8-15)13-5-3-4-12(14)11-13/h2-5,11H,1,6-10H2
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251n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005130
PNG
(8-(3-Chloro-phenyl)-8-aza-5-azonia-spiro[4.5]decan...)
Show SMILES Clc1cccc(c1)N1CC[N+]2(CCCC2)CC1
Show InChI InChI=1S/C14H20ClN2/c15-13-4-3-5-14(12-13)16-6-10-17(11-7-16)8-1-2-9-17/h3-5,12H,1-2,6-11H2/q+1
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7.22E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005138
PNG
(1-[4-(3-Chloro-phenyl)-piperazin-1-yl]-2-phenyl-et...)
Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C18H19ClN2O/c19-16-7-4-8-17(14-16)20-9-11-21(12-10-20)18(22)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2
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1.48E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005141
PNG
(1-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propan-1-on...)
Show SMILES CCC(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C13H17ClN2O/c1-2-13(17)16-8-6-15(7-9-16)12-5-3-4-11(14)10-12/h3-5,10H,2,6-9H2,1H3
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3.08E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005122
PNG
(1-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butan-1-one...)
Show SMILES CCCC(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C14H19ClN2O/c1-2-4-14(18)17-9-7-16(8-10-17)13-6-3-5-12(15)11-13/h3,5-6,11H,2,4,7-10H2,1H3
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4.90E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005137
PNG
(CHEMBL418386 | [4-(3-Chloro-phenyl)-piperazin-1-yl...)
Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H17ClN2O/c18-15-7-4-8-16(13-15)19-9-11-20(12-10-19)17(21)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005128
PNG
(1-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethanone | ...)
Show SMILES CC(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C12H15ClN2O/c1-10(16)14-5-7-15(8-6-14)12-4-2-3-11(13)9-12/h2-4,9H,5-8H2,1H3
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005136
PNG
(4-(3-Chloro-phenyl)-morpholine | CHEMBL77181)
Show SMILES Clc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C10H12ClNO/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12/h1-3,8H,4-7H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005125
PNG
(1-[4-(3-Chloro-phenyl)-piperazin-1-yl]-2-methyl-pr...)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C14H19ClN2O/c1-11(2)14(18)17-8-6-16(7-9-17)13-5-3-4-12(15)10-13/h3-5,10-11H,6-9H2,1-2H3
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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%