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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50007383   
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))
BDBM50062262
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCN2C(c3ccc(cc3C2=O)[N+]([O-])=O)c2ccccc2)CC1
Show InChI InChI=1S/C27H28N4O4/c1-35-25-10-6-5-9-24(25)29-16-13-28(14-17-29)15-18-30-26(20-7-3-2-4-8-20)22-12-11-21(31(33)34)19-23(22)27(30)32/h2-12,19,26H,13-18H2,1H3
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0.0450n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062268
PNG
(6-Iodo-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...)
Show SMILES COc1ccccc1N1CCN(CCN2C(c3ccc(I)cc3C2=O)c2ccccc2)CC1
Show InChI InChI=1S/C27H28IN3O2/c1-33-25-10-6-5-9-24(25)30-16-13-29(14-17-30)15-18-31-26(20-7-3-2-4-8-20)22-12-11-21(28)19-23(22)27(31)32/h2-12,19,26H,13-18H2,1H3
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0.0690n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062268
PNG
(6-Iodo-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...)
Show SMILES COc1ccccc1N1CCN(CCN2C(c3ccc(I)cc3C2=O)c2ccccc2)CC1
Show InChI InChI=1S/C27H28IN3O2/c1-33-25-10-6-5-9-24(25)30-16-13-29(14-17-30)15-18-31-26(20-7-3-2-4-8-20)22-12-11-21(28)19-23(22)27(31)32/h2-12,19,26H,13-18H2,1H3
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0.0690n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035508
PNG
(4-Iodo-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(I)cc2)c2ccccn2)CC1
Show InChI InChI=1S/C25H27IN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-13H,14-19H2,1H3
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0.200n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062273
PNG
(3-Hydroxy-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)c3cc(ccc3C2(O)c2ccccc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C27H28N4O5/c1-36-25-10-6-5-9-24(25)29-16-13-28(14-17-29)15-18-30-26(32)22-19-21(31(34)35)11-12-23(22)27(30,33)20-7-3-2-4-8-20/h2-12,19,33H,13-18H2,1H3
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0.340n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062267
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCN2C(c3ccccc3C2=O)c2ccccc2)CC1
Show InChI InChI=1S/C27H29N3O2/c1-32-25-14-8-7-13-24(25)29-18-15-28(16-19-29)17-20-30-26(21-9-3-2-4-10-21)22-11-5-6-12-23(22)27(30)31/h2-14,26H,15-20H2,1H3
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0.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062266
PNG
(3-Hydroxy-6-iodo-2-{2-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)c3cc(I)ccc3C2(O)c2ccccc2)CC1
Show InChI InChI=1S/C27H28IN3O3/c1-34-25-10-6-5-9-24(25)30-16-13-29(14-17-30)15-18-31-26(32)22-19-21(28)11-12-23(22)27(31,33)20-7-3-2-4-8-20/h2-12,19,33H,13-18H2,1H3
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0.650n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062271
PNG
(5-(4-Bromo-phenyl)-1-{2-[4-(2-methoxy-phenyl)-pipe...)
Show SMILES COc1ccccc1N1CCN(CCN2C(CCC2=O)c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C23H28BrN3O2/c1-29-22-5-3-2-4-21(22)26-15-12-25(13-16-26)14-17-27-20(10-11-23(27)28)18-6-8-19(24)9-7-18/h2-9,20H,10-17H2,1H3
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1.09n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062263
PNG
(6-Amino-3-hydroxy-2-{2-[4-(2-methoxy-phenyl)-piper...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)c3cc(N)ccc3C2(O)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N4O3/c1-34-25-10-6-5-9-24(25)30-16-13-29(14-17-30)15-18-31-26(32)22-19-21(28)11-12-23(22)27(31,33)20-7-3-2-4-8-20/h2-12,19,33H,13-18,28H2,1H3
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1.85n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062269
PNG
(5-(4-Iodo-phenyl)-1-{2-[4-(2-methoxy-phenyl)-piper...)
Show SMILES COc1ccccc1N1CCN(CCN2C(CCC2=O)c2ccc(I)cc2)CC1
Show InChI InChI=1S/C23H28IN3O2/c1-29-22-5-3-2-4-21(22)26-15-12-25(13-16-26)14-17-27-20(10-11-23(27)28)18-6-8-19(24)9-7-18/h2-9,20H,10-17H2,1H3
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2.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062269
PNG
(5-(4-Iodo-phenyl)-1-{2-[4-(2-methoxy-phenyl)-piper...)
Show SMILES COc1ccccc1N1CCN(CCN2C(CCC2=O)c2ccc(I)cc2)CC1
Show InChI InChI=1S/C23H28IN3O2/c1-29-22-5-3-2-4-21(22)26-15-12-25(13-16-26)14-17-27-20(10-11-23(27)28)18-6-8-19(24)9-7-18/h2-9,20H,10-17H2,1H3
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2.54n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062265
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCN2C(c3ccccc3C2=O)c2ccccn2)CC1
Show InChI InChI=1S/C26H28N4O2/c1-32-24-12-5-4-11-23(24)29-17-14-28(15-18-29)16-19-30-25(22-10-6-7-13-27-22)20-8-2-3-9-21(20)26(30)31/h2-13,25H,14-19H2,1H3
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6.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062270
PNG
(5-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c3ccccc3c3ccccc3c2=O)CC1
Show InChI InChI=1S/C26H27N3O2/c1-31-25-13-7-6-12-24(25)28-17-14-27(15-18-28)16-19-29-23-11-5-4-9-21(23)20-8-2-3-10-22(20)26(29)30/h2-13H,14-19H2,1H3
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8.90n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062264
PNG
(3-Hydroxy-6-iodo-2-{2-[4-(2-methoxy-5-nitro-phenyl...)
Show SMILES COc1ccc(cc1N1CCN(CCN2C(=O)c3cc(I)ccc3C2(O)c2ccccc2)CC1)[N+]([O-])=O
Show InChI InChI=1S/C27H27IN4O5/c1-37-25-10-8-21(32(35)36)18-24(25)30-14-11-29(12-15-30)13-16-31-26(33)22-17-20(28)7-9-23(22)27(31,34)19-5-3-2-4-6-19/h2-10,17-18,34H,11-16H2,1H3
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9.30n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062274
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCN2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C21H25N3O2/c1-26-20-9-5-4-8-19(20)23-13-10-22(11-14-23)12-15-24-16-17-6-2-3-7-18(17)21(24)25/h2-9H,10-16H2,1H3
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14.9n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062272
PNG
(6-Iodo-2-{2-[4-(2-methoxy-5-nitro-phenyl)-piperazi...)
Show SMILES COc1ccc(cc1N1CCN(CCN2C(c3ccc(I)cc3C2=O)c2ccccc2)CC1)[N+]([O-])=O
Show InChI InChI=1S/C27H27IN4O4/c1-36-25-10-8-21(32(34)35)18-24(25)30-14-11-29(12-15-30)13-16-31-26(19-5-3-2-4-6-19)22-9-7-20(28)17-23(22)27(31)33/h2-10,17-18,26H,11-16H2,1H3
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51.7n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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n/an/an/a 0.100n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor was determined by measuring specific inhibition of [125I]-binding to rat hippocampal me...


J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair