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Compile Data Set for Download or QSAR

Found 10 hits of ki for monomerid = 50175465   
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
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50175465
PNG
(7-methyl-3-[2-(4-quinolin-4-yl-piperazin-1-yl)-eth...)
Show SMILES CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccnc4ccccc34)c(=O)c21
Show InChI InChI=1S/C25H28N6OS/c1-28-9-7-19-22(16-28)33-24-23(19)25(32)31(17-27-24)15-12-29-10-13-30(14-11-29)21-6-8-26-20-5-3-2-4-18(20)21/h2-6,8,17H,7,9-16H2,1H3
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>1n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibitory activity against 5HT5A receptor


Bioorg Med Chem Lett 15: 5567-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.077
BindingDB Entry DOI: 10.7270/Q2CR5SX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50175465
PNG
(7-methyl-3-[2-(4-quinolin-4-yl-piperazin-1-yl)-eth...)
Show SMILES CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccnc4ccccc34)c(=O)c21
Show InChI InChI=1S/C25H28N6OS/c1-28-9-7-19-22(16-28)33-24-23(19)25(32)31(17-27-24)15-12-29-10-13-30(14-11-29)21-6-8-26-20-5-3-2-4-18(20)21/h2-6,8,17H,7,9-16H2,1H3
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1.20n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibitory activity against 5HT2A receptor


Bioorg Med Chem Lett 15: 5567-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.077
BindingDB Entry DOI: 10.7270/Q2CR5SX4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50175465
PNG
(7-methyl-3-[2-(4-quinolin-4-yl-piperazin-1-yl)-eth...)
Show SMILES CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccnc4ccccc34)c(=O)c21
Show InChI InChI=1S/C25H28N6OS/c1-28-9-7-19-22(16-28)33-24-23(19)25(32)31(17-27-24)15-12-29-10-13-30(14-11-29)21-6-8-26-20-5-3-2-4-18(20)21/h2-6,8,17H,7,9-16H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine D3 receptor


Bioorg Med Chem Lett 15: 5567-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.077
BindingDB Entry DOI: 10.7270/Q2CR5SX4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50175465
PNG
(7-methyl-3-[2-(4-quinolin-4-yl-piperazin-1-yl)-eth...)
Show SMILES CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccnc4ccccc34)c(=O)c21
Show InChI InChI=1S/C25H28N6OS/c1-28-9-7-19-22(16-28)33-24-23(19)25(32)31(17-27-24)15-12-29-10-13-30(14-11-29)21-6-8-26-20-5-3-2-4-18(20)21/h2-6,8,17H,7,9-16H2,1H3
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1.46n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine D2(long) receptor


Bioorg Med Chem Lett 15: 5567-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.077
BindingDB Entry DOI: 10.7270/Q2CR5SX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50175465
PNG
(7-methyl-3-[2-(4-quinolin-4-yl-piperazin-1-yl)-eth...)
Show SMILES CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccnc4ccccc34)c(=O)c21
Show InChI InChI=1S/C25H28N6OS/c1-28-9-7-19-22(16-28)33-24-23(19)25(32)31(17-27-24)15-12-29-10-13-30(14-11-29)21-6-8-26-20-5-3-2-4-18(20)21/h2-6,8,17H,7,9-16H2,1H3
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4.48n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibitory activity against 5HT7 receptor


Bioorg Med Chem Lett 15: 5567-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.077
BindingDB Entry DOI: 10.7270/Q2CR5SX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50175465
PNG
(7-methyl-3-[2-(4-quinolin-4-yl-piperazin-1-yl)-eth...)
Show SMILES CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccnc4ccccc34)c(=O)c21
Show InChI InChI=1S/C25H28N6OS/c1-28-9-7-19-22(16-28)33-24-23(19)25(32)31(17-27-24)15-12-29-10-13-30(14-11-29)21-6-8-26-20-5-3-2-4-18(20)21/h2-6,8,17H,7,9-16H2,1H3
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5.5n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibitory activity against 5HT2C receptor


Bioorg Med Chem Lett 15: 5567-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.077
BindingDB Entry DOI: 10.7270/Q2CR5SX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50175465
PNG
(7-methyl-3-[2-(4-quinolin-4-yl-piperazin-1-yl)-eth...)
Show SMILES CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccnc4ccccc34)c(=O)c21
Show InChI InChI=1S/C25H28N6OS/c1-28-9-7-19-22(16-28)33-24-23(19)25(32)31(17-27-24)15-12-29-10-13-30(14-11-29)21-6-8-26-20-5-3-2-4-18(20)21/h2-6,8,17H,7,9-16H2,1H3
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6.5n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Displacement of [35S]GTPgammaS from human recombinant 5HT1A receptor


Bioorg Med Chem Lett 15: 5567-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.077
BindingDB Entry DOI: 10.7270/Q2CR5SX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50175465
PNG
(7-methyl-3-[2-(4-quinolin-4-yl-piperazin-1-yl)-eth...)
Show SMILES CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccnc4ccccc34)c(=O)c21
Show InChI InChI=1S/C25H28N6OS/c1-28-9-7-19-22(16-28)33-24-23(19)25(32)31(17-27-24)15-12-29-10-13-30(14-11-29)21-6-8-26-20-5-3-2-4-18(20)21/h2-6,8,17H,7,9-16H2,1H3
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9.70n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant 5HT1B receptor co-expressed with G-protein chimera Gqo5 in HEK293 cells by FLIPR


Bioorg Med Chem Lett 15: 5567-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.077
BindingDB Entry DOI: 10.7270/Q2CR5SX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50175465
PNG
(7-methyl-3-[2-(4-quinolin-4-yl-piperazin-1-yl)-eth...)
Show SMILES CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccnc4ccccc34)c(=O)c21
Show InChI InChI=1S/C25H28N6OS/c1-28-9-7-19-22(16-28)33-24-23(19)25(32)31(17-27-24)15-12-29-10-13-30(14-11-29)21-6-8-26-20-5-3-2-4-18(20)21/h2-6,8,17H,7,9-16H2,1H3
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23n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity for rat 5HT1A receptor


Bioorg Med Chem Lett 15: 5567-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.077
BindingDB Entry DOI: 10.7270/Q2CR5SX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50175465
PNG
(7-methyl-3-[2-(4-quinolin-4-yl-piperazin-1-yl)-eth...)
Show SMILES CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccnc4ccccc34)c(=O)c21
Show InChI InChI=1S/C25H28N6OS/c1-28-9-7-19-22(16-28)33-24-23(19)25(32)31(17-27-24)15-12-29-10-13-30(14-11-29)21-6-8-26-20-5-3-2-4-18(20)21/h2-6,8,17H,7,9-16H2,1H3
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117n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity for rat 5HT1B receptor


Bioorg Med Chem Lett 15: 5567-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.077
BindingDB Entry DOI: 10.7270/Q2CR5SX4
More data for this
Ligand-Target Pair