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Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'cipollina' and Initial = 'ja'   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209166
PNG
(3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole-5-c...)
Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3
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n/an/a 0.340n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209168
PNG
((R)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...)
Show SMILES CN(C)[C@@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007692
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2
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n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209172
PNG
((S)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...)
Show SMILES CN(C)[C@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m1/s1
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n/an/a 0.560n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016966
PNG
(1,1-Dioxo-2-[4-(4-thieno[3,2-c]pyridin-4-yl-pipera...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C22H24N4O3S2/c27-22-18-5-1-2-6-20(18)31(28,29)26(22)11-4-3-10-24-12-14-25(15-13-24)21-17-8-16-30-19(17)7-9-23-21/h1-2,5-9,16H,3-4,10-15H2
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n/an/a 0.680n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at serotonin 5-hydroxytryptamine 1A receptors of rat hippocampus by displacing [3H]8-OH-DPAT


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50016963
PNG
(2-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C23H24N4O2S/c28-22-17-5-1-2-6-18(17)23(29)27(22)11-4-3-10-25-12-14-26(15-13-25)21-19-8-16-30-20(19)7-9-24-21/h1-2,5-9,16H,3-4,10-15H2
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n/an/a 0.690n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at alpha-1 adrenergic receptor by displacing [3H]WB-4101


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209168
PNG
((R)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...)
Show SMILES CN(C)[C@@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m0/s1
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n/an/a 0.720n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007693
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES OC1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2
Show InChI InChI=1S/C24H32N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6,18,29H,3-4,7-17H2
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n/an/a 0.876n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209175
PNG
(CHEMBL396537 | N,N-dimethyl-4-(5-nitro-1H-indol-3-...)
Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C16H19N3O2/c1-18(2)12-5-3-11(4-6-12)15-10-17-16-8-7-13(19(20)21)9-14(15)16/h3,7-10,12,17H,4-6H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007690
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES OC1C(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)CC11CCCC1
Show InChI InChI=1S/C24H32N4O3S/c29-20-17-24(9-3-4-10-24)21(30)23(31)28(20)12-6-5-11-26-13-15-27(16-14-26)22-18-7-1-2-8-19(18)32-25-22/h1-2,7-8,21,30H,3-6,9-17H2
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209172
PNG
((S)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...)
Show SMILES CN(C)[C@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50016955
PNG
(4-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...)
Show SMILES O=C1CSCC(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12
Show InChI InChI=1S/C19H24N4O2S2/c24-17-13-26-14-18(25)23(17)7-2-1-6-21-8-10-22(11-9-21)19-15-4-12-27-16(15)3-5-20-19/h3-5,12H,1-2,6-11,13-14H2
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Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at alpha-1 adrenergic receptor by displacing [3H]WB-4101


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50016966
PNG
(1,1-Dioxo-2-[4-(4-thieno[3,2-c]pyridin-4-yl-pipera...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C22H24N4O3S2/c27-22-18-5-1-2-6-20(18)31(28,29)26(22)11-4-3-10-24-12-14-25(15-13-24)21-17-8-16-30-19(17)7-9-23-21/h1-2,5-9,16H,3-4,10-15H2
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at alpha-1 adrenergic receptor by displacing [3H]WB-4101


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016955
PNG
(4-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...)
Show SMILES O=C1CSCC(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12
Show InChI InChI=1S/C19H24N4O2S2/c24-17-13-26-14-18(25)23(17)7-2-1-6-21-8-10-22(11-9-21)19-15-4-12-27-16(15)3-5-20-19/h3-5,12H,1-2,6-11,13-14H2
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at serotonin 5-hydroxytryptamine 1A receptors of rat hippocampus by displacing [3H]8-OH-DPAT


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007694
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2
Show InChI InChI=1S/C24H30N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6H,3-4,7-17H2
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016959
PNG
(4-Methyl-1-[4-(4-thieno[3,2-c]pyridin-4-yl-piperaz...)
Show SMILES CC1CC(=O)N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)C1
Show InChI InChI=1S/C21H28N4O2S/c1-16-14-19(26)25(20(27)15-16)8-3-2-7-23-9-11-24(12-10-23)21-17-5-13-28-18(17)4-6-22-21/h4-6,13,16H,2-3,7-12,14-15H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at serotonin 5-hydroxytryptamine 1A receptors of rat hippocampus by displacing [3H]8-OH-DPAT


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007690
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES OC1C(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)CC11CCCC1
Show InChI InChI=1S/C24H32N4O3S/c29-20-17-24(9-3-4-10-24)21(30)23(31)28(20)12-6-5-11-26-13-15-27(16-14-26)22-18-7-1-2-8-19(18)32-25-22/h1-2,7-8,21,30H,3-6,9-17H2
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n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209166
PNG
(3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole-5-c...)
Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3
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n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007693
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES OC1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2
Show InChI InChI=1S/C24H32N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6,18,29H,3-4,7-17H2
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n/an/a 2.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016971
PNG
(3-{4-[4-(2-Methyl-furo[3,2-c]pyridin-4-yl)-piperaz...)
Show SMILES Cc1cc2c(nccc2o1)N1CCN(CCCCN2C(=O)SC3(CCCC3)C2=O)CC1
Show InChI InChI=1S/C23H30N4O3S/c1-17-16-18-19(30-17)6-9-24-20(18)26-14-12-25(13-15-26)10-4-5-11-27-21(28)23(31-22(27)29)7-2-3-8-23/h6,9,16H,2-5,7-8,10-15H2,1H3
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n/an/a 2.20n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at 5-hydroxytryptamine 1A receptor of rat hippocampus by displacing [3H]8-OH-DPAT


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016966
PNG
(1,1-Dioxo-2-[4-(4-thieno[3,2-c]pyridin-4-yl-pipera...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C22H24N4O3S2/c27-22-18-5-1-2-6-20(18)31(28,29)26(22)11-4-3-10-24-12-14-25(15-13-24)21-17-8-16-30-19(17)7-9-23-21/h1-2,5-9,16H,3-4,10-15H2
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n/an/a 2.30n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at 5-hydroxytryptamine 1 receptor of rat hippocampus by displacing [3H]5-HT


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016969
PNG
(1-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...)
Show SMILES O=C1CCCC(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12
Show InChI InChI=1S/C20H26N4O2S/c25-18-4-3-5-19(26)24(18)10-2-1-9-22-11-13-23(14-12-22)20-16-7-15-27-17(16)6-8-21-20/h6-8,15H,1-5,9-14H2
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n/an/a 2.5n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at serotonin 5-hydroxytryptamine 1A receptors of rat hippocampus by displacing [3H]8-OH-DPAT


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007691
PNG
(3-Oxo-2-oxa-spiro[4.4]nonane-1-carboxylic acid [4-...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)C1OC(=O)CC11CCCC1
Show InChI InChI=1S/C24H32N4O3S/c29-20-17-24(9-3-4-10-24)21(31-20)23(30)25-11-5-6-12-27-13-15-28(16-14-27)22-18-7-1-2-8-19(18)32-26-22/h1-2,7-8,21H,3-6,9-17H2,(H,25,30)
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n/an/a 2.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016963
PNG
(2-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C23H24N4O2S/c28-22-17-5-1-2-6-18(17)23(29)27(22)11-4-3-10-25-12-14-26(15-13-25)21-19-8-16-30-20(19)7-9-24-21/h1-2,5-9,16H,3-4,10-15H2
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n/an/a 2.70n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at serotonin 5-hydroxytryptamine 1A receptors of rat hippocampus by displacing [3H]8-OH-DPAT


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50016963
PNG
(2-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C23H24N4O2S/c28-22-17-5-1-2-6-18(17)23(29)27(22)11-4-3-10-25-12-14-26(15-13-25)21-19-8-16-30-20(19)7-9-24-21/h1-2,5-9,16H,3-4,10-15H2
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n/an/a 2.80n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at serotonin 5-hydroxytryptamine 2 receptors of rat hippocampus by displacing [3H]spiperone


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007694
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2
Show InChI InChI=1S/C24H30N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6H,3-4,7-17H2
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n/an/a 2.90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007692
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2
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n/an/a 2.90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue with [3H]-8-OH-DPAT


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50016960
PNG
(4,4-Dimethyl-1-[4-(4-thieno[3,2-c]pyridin-4-yl-pip...)
Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)C1
Show InChI InChI=1S/C22H30N4O2S/c1-22(2)15-19(27)26(20(28)16-22)9-4-3-8-24-10-12-25(13-11-24)21-17-6-14-29-18(17)5-7-23-21/h5-7,14H,3-4,8-13,15-16H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at serotonin 5-hydroxytryptamine 2 receptors of rat hippocampus by displacing [3H]spiperone


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007694
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2
Show InChI InChI=1S/C24H30N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6H,3-4,7-17H2
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor using in rat hippocampal tissue using [3H]-8-OH-DPAT as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209176
PNG
(4-(1H-indol-3-yl)-N,N-dimethylcyclohex-3-enamine |...)
Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H20N2/c1-18(2)13-9-7-12(8-10-13)15-11-17-16-6-4-3-5-14(15)16/h3-7,11,13,17H,8-10H2,1-2H3
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n/an/a 3.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016967
PNG
(3-{4-[4-(2-Methyl-thieno[3,2-c]pyridin-4-yl)-piper...)
Show SMILES Cc1cc2c(nccc2s1)N1CCN(CCCCN2C(=O)SC3(CCCC3)C2=O)CC1
Show InChI InChI=1S/C23H30N4O2S2/c1-17-16-18-19(30-17)6-9-24-20(18)26-14-12-25(13-15-26)10-4-5-11-27-21(28)23(31-22(27)29)7-2-3-8-23/h6,9,16H,2-5,7-8,10-15H2,1H3
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n/an/a 3.60n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at 5-hydroxytryptamine 1 receptor of rat hippocampus by displacing [3H]5-HT


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016956
PNG
(1-{4-[4-(2-Bromo-thieno[3,2-c]pyridin-4-yl)-pipera...)
Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2nccc3sc(Br)cc23)C(=O)C1
Show InChI InChI=1S/C22H29BrN4O2S/c1-22(2)14-19(28)27(20(29)15-22)8-4-3-7-25-9-11-26(12-10-25)21-16-13-18(23)30-17(16)5-6-24-21/h5-6,13H,3-4,7-12,14-15H2,1-2H3
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n/an/a 3.70n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at 5-hydroxytryptamine 1 receptor of rat hippocampus by displacing [3H]5-HT


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016957
PNG
(3-[4-(4-Thieno[2,3-c]pyridin-7-yl-piperazin-1-yl)-...)
Show SMILES O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nccc2ccsc12
Show InChI InChI=1S/C22H28N4O2S2/c27-20-22(7-1-2-8-22)30-21(28)26(20)11-4-3-10-24-12-14-25(15-13-24)19-18-17(5-9-23-19)6-16-29-18/h5-6,9,16H,1-4,7-8,10-15H2
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n/an/a 3.70n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro evaluation for arachidonic acid induced platelet aggregation of human platelet-rich plasma


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016958
PNG
(1-(4-Fluoro-phenyl)-4-(4-thieno[3,2-c]pyridin-4-yl...)
Show SMILES OC(CCCN1CCN(CC1)c1nccc2sccc12)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3OS/c22-17-5-3-16(4-6-17)19(26)2-1-10-24-11-13-25(14-12-24)21-18-8-15-27-20(18)7-9-23-21/h3-9,15,19,26H,1-2,10-14H2
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n/an/a 3.80n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at 5-hydroxytryptamine 1 receptor of rat hippocampus by displacing [3H]5-HT


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007693
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES OC1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2
Show InChI InChI=1S/C24H32N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6,18,29H,3-4,7-17H2
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n/an/a 3.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor using in rat hippocampal tissue using [3H]-8-OH-DPAT as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50016964
PNG
(3-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...)
Show SMILES O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12
Show InChI InChI=1S/C22H28N4O2S2/c27-20-22(7-1-2-8-22)30-21(28)26(20)11-4-3-10-24-12-14-25(15-13-24)19-17-6-16-29-18(17)5-9-23-19/h5-6,9,16H,1-4,7-8,10-15H2
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n/an/a 3.90n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at 5-hydroxytryptamine 2 receptor of rat hippocampus by displacing [3H]spiperone


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50016959
PNG
(4-Methyl-1-[4-(4-thieno[3,2-c]pyridin-4-yl-piperaz...)
Show SMILES CC1CC(=O)N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)C1
Show InChI InChI=1S/C21H28N4O2S/c1-16-14-19(26)25(20(27)15-16)8-3-2-7-23-9-11-24(12-10-23)21-17-5-13-28-18(17)4-6-22-21/h4-6,13,16H,2-3,7-12,14-15H2,1H3
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n/an/a 4.20n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at serotonin 5-hydroxytryptamine 2 receptors of rat hippocampus by displacing [3H]spiperone


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007691
PNG
(3-Oxo-2-oxa-spiro[4.4]nonane-1-carboxylic acid [4-...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)C1OC(=O)CC11CCCC1
Show InChI InChI=1S/C24H32N4O3S/c29-20-17-24(9-3-4-10-24)21(31-20)23(30)25-11-5-6-12-27-13-15-28(16-14-27)22-18-7-1-2-8-19(18)32-26-22/h1-2,7-8,21H,3-6,9-17H2,(H,25,30)
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n/an/a 4.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016965
PNG
(4,4-Dimethyl-1-{4-[4-(2-methyl-furo[3,2-c]pyridin-...)
Show SMILES Cc1cc2c(nccc2o1)N1CCN(CCCCN2C(=O)CC(C)(C)CC2=O)CC1
Show InChI InChI=1S/C23H32N4O3/c1-17-14-18-19(30-17)6-7-24-22(18)26-12-10-25(11-13-26)8-4-5-9-27-20(28)15-23(2,3)16-21(27)29/h6-7,14H,4-5,8-13,15-16H2,1-3H3
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n/an/a 4.90n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at serotonin 5-hydroxytryptamine 1A receptors of rat hippocampus by displacing [3H]8-OH-DPAT


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007690
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES OC1C(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)CC11CCCC1
Show InChI InChI=1S/C24H32N4O3S/c29-20-17-24(9-3-4-10-24)21(30)23(31)28(20)12-6-5-11-26-13-15-27(16-14-26)22-18-7-1-2-8-19(18)32-25-22/h1-2,7-8,21,30H,3-6,9-17H2
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n/an/a 5.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor using in rat hippocampal tissue using [3H]-8-OH-DPAT as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209171
PNG
(4-(5-bromo-1H-indol-3-yl)-N,N-dimethylcyclohex-3-e...)
Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C16H19BrN2/c1-19(2)13-6-3-11(4-7-13)15-10-18-16-8-5-12(17)9-14(15)16/h3,5,8-10,13,18H,4,6-7H2,1-2H3
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n/an/a 5.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016963
PNG
(2-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C23H24N4O2S/c28-22-17-5-1-2-6-18(17)23(29)27(22)11-4-3-10-25-12-14-26(15-13-25)21-19-8-16-30-20(19)7-9-24-21/h1-2,5-9,16H,3-4,10-15H2
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n/an/a 5.30n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro inhibition of arachidonic acid induced platelet aggregation in human platelet-rich plasma


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50016966
PNG
(1,1-Dioxo-2-[4-(4-thieno[3,2-c]pyridin-4-yl-pipera...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C22H24N4O3S2/c27-22-18-5-1-2-6-20(18)31(28,29)26(22)11-4-3-10-24-12-14-25(15-13-24)21-17-8-16-30-19(17)7-9-23-21/h1-2,5-9,16H,3-4,10-15H2
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n/an/a 5.70n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro inhibition of arachidonic acid induced platelet aggregation in human platelet-rich plasma


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016960
PNG
(4,4-Dimethyl-1-[4-(4-thieno[3,2-c]pyridin-4-yl-pip...)
Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)C1
Show InChI InChI=1S/C22H30N4O2S/c1-22(2)15-19(27)26(20(28)16-22)9-4-3-8-24-10-12-25(13-11-24)21-17-6-14-29-18(17)5-7-23-21/h5-7,14H,3-4,8-13,15-16H2,1-2H3
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n/an/a 5.70n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at 5-hydroxytryptamine 1 receptor of rat hippocampus by displacing [3H]5-HT


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50016958
PNG
(1-(4-Fluoro-phenyl)-4-(4-thieno[3,2-c]pyridin-4-yl...)
Show SMILES OC(CCCN1CCN(CC1)c1nccc2sccc12)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3OS/c22-17-5-3-16(4-6-17)19(26)2-1-10-24-11-13-25(14-12-24)21-18-8-15-27-20(18)7-9-23-21/h3-9,15,19,26H,1-2,10-14H2
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n/an/a 5.80n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at serotonin 5-hydroxytryptamine 2 receptors of rat hippocampus by displacing [3H]spiperone


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016968
PNG
(1-(4-Fluoro-phenyl)-4-[4-(2-methyl-furo[3,2-c]pyri...)
Show SMILES Cc1cc2c(nccc2o1)N1CCN(CCCC(O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H26FN3O2/c1-16-15-19-21(28-16)8-9-24-22(19)26-13-11-25(12-14-26)10-2-3-20(27)17-4-6-18(23)7-5-17/h4-9,15,20,27H,2-3,10-14H2,1H3
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n/an/a 6.20n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at serotonin 5-hydroxytryptamine 1A receptors of rat hippocampus by displacing [3H]8-OH-DPAT


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50016955
PNG
(4-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...)
Show SMILES O=C1CSCC(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12
Show InChI InChI=1S/C19H24N4O2S2/c24-17-13-26-14-18(25)23(17)7-2-1-6-21-8-10-22(11-9-21)19-15-4-12-27-16(15)3-5-20-19/h3-5,12H,1-2,6-11,13-14H2
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n/an/a 6.70n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at serotonin 5-hydroxytryptamine 2 receptors of rat hippocampus by displacing [3H]spiperone


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007689
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-3-...)
Show SMILES OC(CCN1C(=O)CC2(CCC(O)C2)CC1=O)CN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H32N4O4S/c29-17-5-7-24(13-17)14-21(31)28(22(32)15-24)8-6-18(30)16-26-9-11-27(12-10-26)23-19-3-1-2-4-20(19)33-25-23/h1-4,17-18,29-30H,5-16H2
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n/an/a 7.20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016964
PNG
(3-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...)
Show SMILES O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12
Show InChI InChI=1S/C22H28N4O2S2/c27-20-22(7-1-2-8-22)30-21(28)26(20)11-4-3-10-24-12-14-25(15-13-24)19-17-6-16-29-18(17)5-9-23-19/h5-6,9,16H,1-4,7-8,10-15H2
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n/an/a 8.10n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at 5-hydroxytryptamine 1 receptor of rat hippocampus by displacing [3H]5-HT


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007688
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-3-...)
Show SMILES OC(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H32N4O3S/c29-18(7-10-28-21(30)15-24(16-22(28)31)8-3-4-9-24)17-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6,18,29H,3-4,7-17H2
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n/an/a 8.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
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