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Compile Data Set for Download or QSAR

Found 8 hits from Collegium Medicum of the Jagiellonian University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50146087
PNG
(1,3-Dimethyl-8-[4-(4-phenyl-piperazin-1-yl)-butyl]...)
Show SMILES Cn1c2nc3N(CCCCN4CCN(CC4)c4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H33N7O2/c1-26-21-20(22(32)27(2)24(26)33)31-14-8-13-30(23(31)25-21)12-7-6-11-28-15-17-29(18-16-28)19-9-4-3-5-10-19/h3-5,9-10H,6-8,11-18H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Collegium Medicum of the Jagiellonian University

Curated by ChEMBL


Assay Description
Ability to bind to central serotonin 5-hydroxytryptamine 1A receptor in vitro in hippocampus of the rat brain using [3H]-8-OH-DPAT radioligand


J Med Chem 47: 2659-66 (2004)


Article DOI: 10.1021/jm030946u
BindingDB Entry DOI: 10.7270/Q2XG9QKJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50146094
PNG
(8-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c3nc4n(C)c(=O)n(C)c(=O)c4n3ccc2=O)CC1
Show InChI InChI=1S/C24H29N7O4/c1-26-21-20(22(33)27(2)24(26)34)31-12-9-19(32)30(23(31)25-21)11-6-10-28-13-15-29(16-14-28)17-7-4-5-8-18(17)35-3/h4-5,7-9,12H,6,10-11,13-16H2,1-3H3
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10.4n/an/an/an/an/an/an/an/a



Collegium Medicum of the Jagiellonian University

Curated by ChEMBL


Assay Description
Ability to bind to central serotonin 5-hydroxytryptamine 1A receptor in vitro in hippocampus of the rat brain using [3H]-8-OH-DPAT radioligand


J Med Chem 47: 2659-66 (2004)


Article DOI: 10.1021/jm030946u
BindingDB Entry DOI: 10.7270/Q2XG9QKJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50146089
PNG
(1,3-dimethyl-9-{3-[4-(2'-methoxyphenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Show InChI InChI=1S/C24H33N7O3/c1-26-21-20(22(32)27(2)24(26)33)31-13-7-12-30(23(31)25-21)11-6-10-28-14-16-29(17-15-28)18-8-4-5-9-19(18)34-3/h4-5,8-9H,6-7,10-17H2,1-3H3
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17.2n/an/an/an/an/an/an/an/a



Collegium Medicum of the Jagiellonian University

Curated by ChEMBL


Assay Description
Ability to bind to central serotonin 5-hydroxytryptamine 1A receptor in vitro in hippocampus of the rat brain using [3H]-8-OH-DPAT radioligand


J Med Chem 47: 2659-66 (2004)


Article DOI: 10.1021/jm030946u
BindingDB Entry DOI: 10.7270/Q2XG9QKJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50146084
PNG
(1,3-Dimethyl-8-[3-(4-phenyl-piperazin-1-yl)-propyl...)
Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)c(=O)ccn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H27N7O3/c1-25-20-19(21(32)26(2)23(25)33)30-12-9-18(31)29(22(30)24-20)11-6-10-27-13-15-28(16-14-27)17-7-4-3-5-8-17/h3-5,7-9,12H,6,10-11,13-16H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Collegium Medicum of the Jagiellonian University

Curated by ChEMBL


Assay Description
Ability to bind to central serotonin 5-hydroxytryptamine 1A receptor in vitro in hippocampus of the rat brain using [3H]-8-OH-DPAT radioligand


J Med Chem 47: 2659-66 (2004)


Article DOI: 10.1021/jm030946u
BindingDB Entry DOI: 10.7270/Q2XG9QKJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50146087
PNG
(1,3-Dimethyl-8-[4-(4-phenyl-piperazin-1-yl)-butyl]...)
Show SMILES Cn1c2nc3N(CCCCN4CCN(CC4)c4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H33N7O2/c1-26-21-20(22(32)27(2)24(26)33)31-14-8-13-30(23(31)25-21)12-7-6-11-28-15-17-29(18-16-28)19-9-4-3-5-10-19/h3-5,9-10H,6-8,11-18H2,1-2H3
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243n/an/an/an/an/an/an/an/a



Collegium Medicum of the Jagiellonian University

Curated by ChEMBL


Assay Description
Ability to bind to central serotonin 5-hydroxytryptamine 2A receptor in vitro in cortex of the rat brain using [3H]-ketanserin radioligand


J Med Chem 47: 2659-66 (2004)


Article DOI: 10.1021/jm030946u
BindingDB Entry DOI: 10.7270/Q2XG9QKJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50146089
PNG
(1,3-dimethyl-9-{3-[4-(2'-methoxyphenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Show InChI InChI=1S/C24H33N7O3/c1-26-21-20(22(32)27(2)24(26)33)31-13-7-12-30(23(31)25-21)11-6-10-28-14-16-29(17-15-28)18-8-4-5-9-19(18)34-3/h4-5,8-9H,6-7,10-17H2,1-3H3
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562n/an/an/an/an/an/an/an/a



Collegium Medicum of the Jagiellonian University

Curated by ChEMBL


Assay Description
Ability to bind to central serotonin 5-hydroxytryptamine 2A receptor in vitro in cortex of the rat brain using [3H]-ketanserin radioligand


J Med Chem 47: 2659-66 (2004)


Article DOI: 10.1021/jm030946u
BindingDB Entry DOI: 10.7270/Q2XG9QKJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50146094
PNG
(8-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c3nc4n(C)c(=O)n(C)c(=O)c4n3ccc2=O)CC1
Show InChI InChI=1S/C24H29N7O4/c1-26-21-20(22(33)27(2)24(26)34)31-12-9-19(32)30(23(31)25-21)11-6-10-28-13-15-29(16-14-28)17-7-4-5-8-18(17)35-3/h4-5,7-9,12H,6,10-11,13-16H2,1-3H3
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3.88E+3n/an/an/an/an/an/an/an/a



Collegium Medicum of the Jagiellonian University

Curated by ChEMBL


Assay Description
Ability to bind to central serotonin 5-hydroxytryptamine 2A receptor in vitro in cortex of the rat brain using [3H]-ketanserin radioligand


J Med Chem 47: 2659-66 (2004)


Article DOI: 10.1021/jm030946u
BindingDB Entry DOI: 10.7270/Q2XG9QKJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50146084
PNG
(1,3-Dimethyl-8-[3-(4-phenyl-piperazin-1-yl)-propyl...)
Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)c(=O)ccn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H27N7O3/c1-25-20-19(21(32)26(2)23(25)33)30-12-9-18(31)29(22(30)24-20)11-6-10-27-13-15-28(16-14-27)17-7-4-3-5-8-17/h3-5,7-9,12H,6,10-11,13-16H2,1-2H3
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4.68E+3n/an/an/an/an/an/an/an/a



Collegium Medicum of the Jagiellonian University

Curated by ChEMBL


Assay Description
Ability to bind to central serotonin 5-hydroxytryptamine 2A receptor in vitro in cortex of the rat brain using [3H]-ketanserin radioligand


J Med Chem 47: 2659-66 (2004)


Article DOI: 10.1021/jm030946u
BindingDB Entry DOI: 10.7270/Q2XG9QKJ
More data for this
Ligand-Target Pair