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Compile Data Set for Download or QSAR

Found 112 hits from ASKA Pharmaceutical Co, Ltd   
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 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330441
PNG
(3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
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4.72n/an/an/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3 receptor


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330444
PNG
(3-Amino-7-nitro-2-[3-(4-quinolin-2-ylpiperazin-1-y...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(ccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C24H25N7O3S/c25-30-23(32)19-8-7-18(31(33)34)16-21(19)27-24(30)35-15-3-10-28-11-13-29(14-12-28)22-9-6-17-4-1-2-5-20(17)26-22/h1-2,4-9,16H,3,10-15,25H2
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n/an/a 1.30n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330441
PNG
(3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
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n/an/a>1.40n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of 8-hydroxy-[3H]DPAT from human recombinant 5HT1A receptor


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330441
PNG
(3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
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n/an/a 1.40n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330445
PNG
(7-Acetyl-3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21
Show InChI InChI=1S/C27H31N7O2S2/c1-18(35)33-11-9-20-22(17-33)38-25-24(20)26(36)34(28)27(30-25)37-16-4-10-31-12-14-32(15-13-31)23-8-7-19-5-2-3-6-21(19)29-23/h2-3,5-8H,4,9-17,28H2,1H3
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n/an/a 2.5n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330446
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-pyridin-2-ylpiperazin...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccccn3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C20H26N6OS2/c1-14-15(2)29-18-17(14)19(27)26(21)20(23-18)28-13-5-8-24-9-11-25(12-10-24)16-6-3-4-7-22-16/h3-4,6-7H,5,8-13,21H2,1-2H3
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n/an/a 4.20n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330447
PNG
(3-Amino-5,6-dimethyl-2-[3-[4-(4-methylquinolin-2-y...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3cc(C)c4ccccc4n3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C25H30N6OS2/c1-16-15-21(27-20-8-5-4-7-19(16)20)30-12-10-29(11-13-30)9-6-14-33-25-28-23-22(24(32)31(25)26)17(2)18(3)34-23/h4-5,7-8,15H,6,9-14,26H2,1-3H3
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n/an/a 4.30n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330448
PNG
(3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CNCCc3c2c1=O
Show InChI InChI=1S/C25H29N7OS2/c26-32-24(33)22-18-8-9-27-16-20(18)35-23(22)29-25(32)34-15-3-10-30-11-13-31(14-12-30)21-7-6-17-4-1-2-5-19(17)28-21/h1-2,4-7,27H,3,8-16,26H2
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n/an/a 5.20n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330440
PNG
(3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C24H30N6OS/c25-30-23(31)19-7-2-4-9-21(19)27-24(30)32-17-5-12-28-13-15-29(16-14-28)22-11-10-18-6-1-3-8-20(18)26-22/h1,3,6,8,10-11H,2,4-5,7,9,12-17,25H2
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n/an/a 5.60n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330449
PNG
(3-Amino-5,6-dimethyl-2-[3-[4-(5,6,7,8-tetrahydroqu...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4CCCCc4n3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C24H32N6OS2/c1-16-17(2)33-22-21(16)23(31)30(25)24(27-22)32-15-5-10-28-11-13-29(14-12-28)20-9-8-18-6-3-4-7-19(18)26-20/h8-9H,3-7,10-15,25H2,1-2H3
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n/an/a 6.10n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330450
PNG
(2-[4-(4-Quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8...)
Show SMILES O=c1[nH]c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc12
Show InChI InChI=1S/C25H31N5O/c31-25-20-8-2-4-10-22(20)26-23(28-25)11-5-6-14-29-15-17-30(18-16-29)24-13-12-19-7-1-3-9-21(19)27-24/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18H2,(H,26,28,31)
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n/an/a 6.20n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330451
PNG
(5-Amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl...)
Show SMILES Nn1c(CCCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C26H34N6O/c27-32-25(29-23-11-6-4-9-21(23)26(32)33)12-2-1-7-15-30-16-18-31(19-17-30)24-14-13-20-8-3-5-10-22(20)28-24/h3,5,8,10,13-14H,1-2,4,6-7,9,11-12,15-19,27H2
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n/an/a 7.60n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330441
PNG
(3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
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n/an/a 8.90n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330441
PNG
(3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
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n/an/a>8.93n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human recombinant 5HT3 receptor


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330452
PNG
(3-Amino-5-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES Cc1cccc2nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c12
Show InChI InChI=1S/C26H30N6O/c1-19-7-6-10-22-25(19)26(33)32(27)24(29-22)11-4-5-14-30-15-17-31(18-16-30)23-13-12-20-8-2-3-9-21(20)28-23/h2-3,6-10,12-13H,4-5,11,14-18,27H2,1H3
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n/an/a 13.5n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330454
PNG
(3-Amino-8-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES Cc1cccc2c1nc(CCCCN1CCN(CC1)c1ccc3ccccc3n1)n(N)c2=O
Show InChI InChI=1S/C26H30N6O/c1-19-7-6-9-21-25(19)29-24(32(27)26(21)33)11-4-5-14-30-15-17-31(18-16-30)23-13-12-20-8-2-3-10-22(20)28-23/h2-3,6-10,12-13H,4-5,11,14-18,27H2,1H3
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n/an/a 15.6n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330455
PNG
(3-Amino-7-chloro-2-[4-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C25H27ClN6O/c26-19-9-10-20-22(17-19)29-24(32(27)25(20)33)7-3-4-12-30-13-15-31(16-14-30)23-11-8-18-5-1-2-6-21(18)28-23/h1-2,5-6,8-11,17H,3-4,7,12-16,27H2
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n/an/a 18n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330456
PNG
(7-Acetyl-3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21
Show InChI InChI=1S/C28H33N7O2S/c1-19(36)34-13-11-21-23(18-34)38-27-26(21)28(37)35(29)25(31-27)8-4-5-12-32-14-16-33(17-15-32)24-10-9-20-6-2-3-7-22(20)30-24/h2-3,6-7,9-10H,4-5,8,11-18,29H2,1H3
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n/an/a 22.1n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330457
PNG
(3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2ccccc2c1=O
Show InChI InChI=1S/C24H26N6OS/c25-30-23(31)19-7-2-4-9-21(19)27-24(30)32-17-5-12-28-13-15-29(16-14-28)22-11-10-18-6-1-3-8-20(18)26-22/h1-4,6-11H,5,12-17,25H2
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n/an/a 24.4n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330450
PNG
(2-[4-(4-Quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8...)
Show SMILES O=c1[nH]c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc12
Show InChI InChI=1S/C25H31N5O/c31-25-20-8-2-4-10-22(20)26-23(28-25)11-5-6-14-29-15-17-30(18-16-29)24-13-12-19-7-1-3-9-21(19)27-24/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18H2,(H,26,28,31)
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n/an/a 24.6n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330458
PNG
(3-Amino-5,6-dimethyl-2-[4-(4-quinolin-2-ylpiperazi...)
Show SMILES Cc1sc2nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C25H30N6OS/c1-17-18(2)33-24-23(17)25(32)31(26)22(28-24)9-5-6-12-29-13-15-30(16-14-29)21-11-10-19-7-3-4-8-20(19)27-21/h3-4,7-8,10-11H,5-6,9,12-16,26H2,1-2H3
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n/an/a 26.7n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330460
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazi...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C24H28N6OS2/c1-16-17(2)33-22-21(16)23(31)30(25)24(27-22)32-15-5-10-28-11-13-29(14-12-28)20-9-8-18-6-3-4-7-19(18)26-20/h3-4,6-9H,5,10-15,25H2,1-2H3
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n/an/a 36.4n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330461
PNG
(3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CCCCc3c2c1=O
Show InChI InChI=1S/C26H30N6OS2/c27-32-25(33)23-19-7-2-4-9-21(19)35-24(23)29-26(32)34-17-5-12-30-13-15-31(16-14-30)22-11-10-18-6-1-3-8-20(18)28-22/h1,3,6,8,10-11H,2,4-5,7,9,12-17,27H2
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n/an/a 41.4n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330462
PNG
(2-[3-(4-Quinolin-2-ylpiperazin-1-yl)propylthio]-5,...)
Show SMILES O=c1[nH]c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CCCCc3c12
Show InChI InChI=1S/C26H29N5OS2/c32-24-23-19-7-2-4-9-21(19)34-25(23)29-26(28-24)33-17-5-12-30-13-15-31(16-14-30)22-11-10-18-6-1-3-8-20(18)27-22/h1,3,6,8,10-11H,2,4-5,7,9,12-17H2,(H,28,29,32)
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n/an/a 44.2n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330463
PNG
(3-Amino-6-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES Cc1ccc2nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2c1
Show InChI InChI=1S/C26H30N6O/c1-19-9-11-23-21(18-19)26(33)32(27)25(29-23)8-4-5-13-30-14-16-31(17-15-30)24-12-10-20-6-2-3-7-22(20)28-24/h2-3,6-7,9-12,18H,4-5,8,13-17,27H2,1H3
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n/an/a 45.6n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330459
PNG
(3-Amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2ccccc2c1=O
Show InChI InChI=1S/C25H28N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1-4,7-10,12-13H,5-6,11,14-18,26H2
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n/an/a 45.7n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330464
PNG
(3-Amino-6-hydroxy-2-[4-(4-quinolin-2-ylpiperazin-1...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCC(O)Cc2c1=O
Show InChI InChI=1S/C25H32N6O2/c26-31-24(28-22-10-9-19(32)17-20(22)25(31)33)7-3-4-12-29-13-15-30(16-14-29)23-11-8-18-5-1-2-6-21(18)27-23/h1-2,5-6,8,11,19,32H,3-4,7,9-10,12-17,26H2
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n/an/a 46.5n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330465
PNG
(3-Amino-2-[4-[4-(7-hydroxyquinolin-2-yl)piperazin-...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccc(O)cc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O2/c26-31-24(27-21-6-2-1-5-20(21)25(31)33)7-3-4-12-29-13-15-30(16-14-29)23-11-9-18-8-10-19(32)17-22(18)28-23/h8-11,17,32H,1-7,12-16,26H2
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n/an/a 46.6n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330466
PNG
(3-Amino-6-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES CC1CCc2nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2C1
Show InChI InChI=1S/C26H34N6O/c1-19-9-11-23-21(18-19)26(33)32(27)25(29-23)8-4-5-13-30-14-16-31(17-15-30)24-12-10-20-6-2-3-7-22(20)28-24/h2-3,6-7,10,12,19H,4-5,8-9,11,13-18,27H2,1H3
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n/an/a 48.3n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330460
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazi...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C24H28N6OS2/c1-16-17(2)33-22-21(16)23(31)30(25)24(27-22)32-15-5-10-28-11-13-29(14-12-28)20-9-8-18-6-3-4-7-19(18)26-20/h3-4,6-9H,5,10-15,25H2,1-2H3
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n/an/a 48.4n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330447
PNG
(3-Amino-5,6-dimethyl-2-[3-[4-(4-methylquinolin-2-y...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3cc(C)c4ccccc4n3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C25H30N6OS2/c1-16-15-21(27-20-8-5-4-7-19(16)20)30-12-10-29(11-13-30)9-6-14-33-25-28-23-22(24(32)31(25)26)17(2)18(3)34-23/h4-5,7-8,15H,6,9-14,26H2,1-3H3
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n/an/a 50.5n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330467
PNG
(3-Amino-5-fluoro-2-[4-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cccc(F)c2c1=O
Show InChI InChI=1S/C25H27FN6O/c26-19-7-5-9-21-24(19)25(33)32(27)23(29-21)10-3-4-13-30-14-16-31(17-15-30)22-12-11-18-6-1-2-8-20(18)28-22/h1-2,5-9,11-12H,3-4,10,13-17,27H2
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n/an/a 50.6n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330443
PNG
(3-Amino-2-[4-[4-(3-hydroxyquinolin-2-yl)piperazin-...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2nc3ccccc3cc2O)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O2/c26-31-23(27-21-10-4-2-8-19(21)25(31)33)11-5-6-12-29-13-15-30(16-14-29)24-22(32)17-18-7-1-3-9-20(18)28-24/h1,3,7,9,17,32H,2,4-6,8,10-16,26H2
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n/an/a 52.6n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330465
PNG
(3-Amino-2-[4-[4-(7-hydroxyquinolin-2-yl)piperazin-...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccc(O)cc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O2/c26-31-24(27-21-6-2-1-5-20(21)25(31)33)7-3-4-12-29-13-15-30(16-14-29)23-11-9-18-8-10-19(32)17-22(18)28-23/h8-11,17,32H,1-7,12-16,26H2
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n/an/a 55.2n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330468
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-phenanthridin-6-ylpip...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3nc4ccccc4c4ccccc34)n(N)c(=O)c2c1C
Show InChI InChI=1S/C28H30N6OS2/c1-18-19(2)37-26-24(18)27(35)34(29)28(31-26)36-17-7-12-32-13-15-33(16-14-32)25-22-10-4-3-8-20(22)21-9-5-6-11-23(21)30-25/h3-6,8-11H,7,12-17,29H2,1-2H3
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n/an/a 55.4n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330453
PNG
(3-Amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1...)
Show SMILES Cc1cc(nc2ccccc12)N1CCN(CCCCc2nc3CCCCc3c(=O)n2N)CC1
Show InChI InChI=1S/C26H34N6O/c1-19-18-25(29-22-10-4-2-8-20(19)22)31-16-14-30(15-17-31)13-7-6-12-24-28-23-11-5-3-9-21(23)26(33)32(24)27/h2,4,8,10,18H,3,5-7,9,11-17,27H2,1H3
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n/an/a 59.1n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330471
PNG
(3-Amino-2-[4-[4-(6-hydroxyquinolin-2-yl)piperazin-...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3cc(O)ccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O2/c26-31-24(28-22-6-2-1-5-20(22)25(31)33)7-3-4-12-29-13-15-30(16-14-29)23-11-8-18-17-19(32)9-10-21(18)27-23/h8-11,17,32H,1-7,12-16,26H2
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n/an/a 59.3n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330472
PNG
(3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cccnc2c1=O
Show InChI InChI=1S/C23H25N7OS/c24-30-22(31)21-19(7-3-10-25-21)27-23(30)32-16-4-11-28-12-14-29(15-13-28)20-9-8-17-5-1-2-6-18(17)26-20/h1-3,5-10H,4,11-16,24H2
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n/an/a 61n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330473
PNG
(3-Amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCc2c1=O
Show InChI InChI=1S/C24H30N6O/c25-30-23(27-21-9-5-7-19(21)24(30)31)10-3-4-13-28-14-16-29(17-15-28)22-12-11-18-6-1-2-8-20(18)26-22/h1-2,6,8,11-12H,3-5,7,9-10,13-17,25H2
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n/an/a 62.1n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330474
PNG
(3-Amino-2-[4-[4-(2,3-dihydro-1H-cyclopenta[c]quino...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2nc3ccccc3c3CCCc23)nc2CCCCc2c1=O
Show InChI InChI=1S/C28H36N6O/c29-34-26(30-25-13-4-2-9-23(25)28(34)35)14-5-6-15-32-16-18-33(19-17-32)27-22-11-7-10-20(22)21-8-1-3-12-24(21)31-27/h1,3,8,12H,2,4-7,9-11,13-19,29H2
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n/an/a 62.3n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330440
PNG
(3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C24H30N6OS/c25-30-23(31)19-7-2-4-9-21(19)27-24(30)32-17-5-12-28-13-15-29(16-14-28)22-11-10-18-6-1-3-8-20(18)26-22/h1,3,6,8,10-11H,2,4-5,7,9,12-17,25H2
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n/an/a 63.8n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330475
PNG
(3-Amino-2-[4-[4-(3,4-dimethylquinolin-2-yl)piperaz...)
Show SMILES Cc1c(C)c2ccccc2nc1N1CCN(CCCCc2nc3CCCCc3c(=O)n2N)CC1
Show InChI InChI=1S/C27H36N6O/c1-19-20(2)26(30-23-11-5-3-9-21(19)23)32-17-15-31(16-18-32)14-8-7-13-25-29-24-12-6-4-10-22(24)27(34)33(25)28/h3,5,9,11H,4,6-8,10,12-18,28H2,1-2H3
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n/an/a 64.6n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330476
PNG
(3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2ncccc2c1=O
Show InChI InChI=1S/C23H25N7OS/c24-30-22(31)18-6-3-10-25-21(18)27-23(30)32-16-4-11-28-12-14-29(15-13-28)20-9-8-17-5-1-2-7-19(17)26-20/h1-3,5-10H,4,11-16,24H2
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n/an/a 64.8n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50330477
PNG
(3-Amino-2-[3-(4-benzothiazol-2-ylpiperazin-1-yl)pr...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3nc4ccccc4s3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C22H26N6OS3/c1-14-15(2)31-19-18(14)20(29)28(23)22(25-19)30-13-5-8-26-9-11-27(12-10-26)21-24-16-6-3-4-7-17(16)32-21/h3-4,6-7H,5,8-13,23H2,1-2H3
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n/an/a 66.6n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330457
PNG
(3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2ccccc2c1=O
Show InChI InChI=1S/C24H26N6OS/c25-30-23(31)19-7-2-4-9-21(19)27-24(30)32-17-5-12-28-13-15-29(16-14-28)22-11-10-18-6-1-3-8-20(18)26-22/h1-4,6-11H,5,12-17,25H2
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n/an/a 69.9n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330445
PNG
(7-Acetyl-3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21
Show InChI InChI=1S/C27H31N7O2S2/c1-18(35)33-11-9-20-22(17-33)38-25-24(20)26(36)34(28)27(30-25)37-16-4-10-31-12-14-32(15-13-31)23-8-7-19-5-2-3-6-21(19)29-23/h2-3,5-8H,4,9-17,28H2,1H3
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n/an/a 77.6n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330478
PNG
(3-Amino-8-chloro-2-[4-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2c(Cl)cccc2c1=O
Show InChI InChI=1S/C25H27ClN6O/c26-20-8-5-7-19-24(20)29-23(32(27)25(19)33)10-3-4-13-30-14-16-31(17-15-30)22-12-11-18-6-1-2-9-21(18)28-22/h1-2,5-9,11-12H,3-4,10,13-17,27H2
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n/an/a 83.1n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330479
PNG
(3-Amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCCc2c1=O
Show InChI InChI=1S/C26H34N6O/c27-32-25(29-23-11-3-1-2-9-21(23)26(32)33)12-6-7-15-30-16-18-31(19-17-30)24-14-13-20-8-4-5-10-22(20)28-24/h4-5,8,10,13-14H,1-3,6-7,9,11-12,15-19,27H2
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n/an/a 84.8n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330480
PNG
(3-Amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)methyl...)
Show SMILES Nn1c(CN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C22H26N6O/c23-28-21(25-19-8-4-2-6-17(19)22(28)29)15-26-11-13-27(14-12-26)20-10-9-16-5-1-3-7-18(16)24-20/h1,3,5,7,9-10H,2,4,6,8,11-15,23H2
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n/an/a 86.6n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50330477
PNG
(3-Amino-2-[3-(4-benzothiazol-2-ylpiperazin-1-yl)pr...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3nc4ccccc4s3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C22H26N6OS3/c1-14-15(2)31-19-18(14)20(29)28(23)22(25-19)30-13-5-8-26-9-11-27(12-10-26)21-24-16-6-3-4-7-17(16)32-21/h3-4,6-7H,5,8-13,23H2,1-2H3
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n/an/a 87.6n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
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