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Compile Data Set for Download or QSAR

Found 323 hits with Last Name = 'rigdon' and Initial = 'gc'   
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))
BDBM50036920
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1C2CCCCC2C=NN1CCCCN1CCN(CC1)c1nsc2ccccc12 |c:9|
Show InChI InChI=1S/C23H31N5OS/c29-23-19-8-2-1-7-18(19)17-24-28(23)12-6-5-11-26-13-15-27(16-14-26)22-20-9-3-4-10-21(20)30-25-22/h3-4,9-10,17-19H,1-2,5-8,11-16H2
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n/an/a 0.0210n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036918
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C23H24N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h1-4,7-10H,5-6,11-16H2
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n/an/a 0.190n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036918
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C23H24N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h1-4,7-10H,5-6,11-16H2
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n/an/a 0.190n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding at serotonin 5-hydroxytryptamine 1A receptor from rat hippocampus tissue.


J Med Chem 39: 149-57 (1996)


Article DOI: 10.1021/jm9502201
BindingDB Entry DOI: 10.7270/Q2TQ60MN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036928
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C22H24N4O3S2/c27-22-18-8-2-4-10-20(18)31(28,29)26(22)12-6-5-11-24-13-15-25(16-14-24)21-17-7-1-3-9-19(17)30-23-21/h1-4,7-10H,5-6,11-16H2
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n/an/a 0.400n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036925
PNG
(3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=c1n(CCCCN2CCN(CC2)c2nsc3ccccc23)cnc2ccccc12
Show InChI InChI=1S/C23H25N5OS/c29-23-18-7-1-3-9-20(18)24-17-28(23)12-6-5-11-26-13-15-27(16-14-26)22-19-8-2-4-10-21(19)30-25-22/h1-4,7-10,17H,5-6,11-16H2
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n/an/a 0.590n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50051280
PNG
(CHEMBL544436 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES COc1ccc(Br)c(O)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C23H27BrN4O3S/c1-31-18-9-8-17(24)21(29)20(18)23(30)25-10-4-5-11-27-12-14-28(15-13-27)22-16-6-2-3-7-19(16)32-26-22/h2-3,6-9,29H,4-5,10-15H2,1H3,(H,25,30)
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n/an/a 0.620n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036919
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)CCc2ccccc12
Show InChI InChI=1S/C24H28N4OS/c29-24-20-8-2-1-7-19(20)11-14-28(24)13-6-5-12-26-15-17-27(18-16-26)23-21-9-3-4-10-22(21)30-25-23/h1-4,7-10H,5-6,11-18H2
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n/an/a 0.640n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50051285
PNG
(CHEMBL542554 | {4-[4-(4-Benzo[d]isothiazol-3-yl-pi...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C27H35N5O3S/c1-27(2,3)35-26(34)29-21-12-10-20(11-13-21)25(33)28-14-6-7-15-31-16-18-32(19-17-31)24-22-8-4-5-9-23(22)36-30-24/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,28,33)(H,29,34)
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n/an/a 0.700n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50048817
PNG
(2-[6-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-he...)
Show SMILES O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C25H28N4O2S/c30-24-19-9-3-4-10-20(19)25(31)29(24)14-8-2-1-7-13-27-15-17-28(18-16-27)23-21-11-5-6-12-22(21)32-26-23/h3-6,9-12H,1-2,7-8,13-18H2
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n/an/a 0.760n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding at serotonin 5-hydroxytryptamine 1A receptor from rat hippocampus tissue.


J Med Chem 39: 149-57 (1996)


Article DOI: 10.1021/jm9502201
BindingDB Entry DOI: 10.7270/Q2TQ60MN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036920
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1C2CCCCC2C=NN1CCCCN1CCN(CC1)c1nsc2ccccc12 |c:9|
Show InChI InChI=1S/C23H31N5OS/c29-23-19-8-2-1-7-18(19)17-24-28(23)12-6-5-11-26-13-15-27(16-14-26)22-20-9-3-4-10-21(20)30-25-22/h3-4,9-10,17-19H,1-2,5-8,11-16H2
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n/an/a 0.820n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50051286
PNG
(CHEMBL544434 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES Oc1ccc(Br)c(O)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H25BrN4O3S/c23-16-7-8-17(28)19(20(16)29)22(30)24-9-3-4-10-26-11-13-27(14-12-26)21-15-5-1-2-6-18(15)31-25-21/h1-2,5-8,28-29H,3-4,9-14H2,(H,24,30)
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n/an/a 1n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50051277
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES CN(CCCCN1CCN(CC1)c1nsc2ccccc12)C(=O)c1ccccc1N
Show InChI InChI=1S/C23H29N5OS/c1-26(23(29)18-8-2-4-10-20(18)24)12-6-7-13-27-14-16-28(17-15-27)22-19-9-3-5-11-21(19)30-25-22/h2-5,8-11H,6-7,12-17,24H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054718
PNG
(3-Amino-thiophene-2-carboxylic acid [4-(4-benzo[d]...)
Show SMILES Nc1ccsc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C20H25N5OS2/c21-16-7-14-27-18(16)20(26)22-8-3-4-9-24-10-12-25(13-11-24)19-15-5-1-2-6-17(15)28-23-19/h1-2,5-7,14H,3-4,8-13,21H2,(H,22,26)
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n/an/a 1.30n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50051257
PNG
(CHEMBL545607 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES CN(CCCCN1CCN(CC1)c1nsc2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C23H28N4OS/c1-25(23(28)19-9-3-2-4-10-19)13-7-8-14-26-15-17-27(18-16-26)22-20-11-5-6-12-21(20)29-24-22/h2-6,9-12H,7-8,13-18H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50051259
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1c(F)cccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H26FN5OS/c23-18-8-5-7-17(20(18)24)22(29)25-10-3-4-11-27-12-14-28(15-13-27)21-16-6-1-2-9-19(16)30-26-21/h1-2,5-9H,3-4,10-15,24H2,(H,25,29)
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Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036917
PNG
(3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=c1n(CCCCN2CCN(CC2)c2nsc3ccccc23)nnc2ccccc12
Show InChI InChI=1S/C22H24N6OS/c29-22-17-7-1-3-9-19(17)23-25-28(22)12-6-5-11-26-13-15-27(16-14-26)21-18-8-2-4-10-20(18)30-24-21/h1-4,7-10H,5-6,11-16H2
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Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036926
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1Cc2ccccc2C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H26N4O2S/c29-22-17-18-7-1-2-8-19(18)24(30)28(22)12-6-5-11-26-13-15-27(16-14-26)23-20-9-3-4-10-21(20)31-25-23/h1-4,7-10H,5-6,11-17H2
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Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054710
PNG
(1,2,3,4-Tetrahydro-quinoline-8-carboxylic acid [4-...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2CCCNc12
Show InChI InChI=1S/C25H31N5OS/c31-25(21-10-5-7-19-8-6-13-26-23(19)21)27-12-3-4-14-29-15-17-30(18-16-29)24-20-9-1-2-11-22(20)32-28-24/h1-2,5,7,9-11,26H,3-4,6,8,12-18H2,(H,27,31)
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n/an/a 1.90n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50048818
PNG
(2-[5-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-pe...)
Show SMILES O=C1N(CCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C24H26N4O2S/c29-23-18-8-2-3-9-19(18)24(30)28(23)13-7-1-6-12-26-14-16-27(17-15-26)22-20-10-4-5-11-21(20)31-25-22/h2-5,8-11H,1,6-7,12-17H2
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n/an/a 2n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding at serotonin 5-hydroxytryptamine 1A receptor from rat hippocampus tissue.


J Med Chem 39: 149-57 (1996)


Article DOI: 10.1021/jm9502201
BindingDB Entry DOI: 10.7270/Q2TQ60MN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054713
PNG
(2-Amino-thiophene-3-carboxylic acid [4-(4-benzo[d]...)
Show SMILES Nc1sccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C20H25N5OS2/c21-18-16(7-14-27-18)20(26)22-8-3-4-9-24-10-12-25(13-11-24)19-15-5-1-2-6-17(15)28-23-19/h1-2,5-7,14H,3-4,8-13,21H2,(H,22,26)
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Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054716
PNG
(1H-Indazole-3-carboxylic acid [4-(4-benzo[d]isothi...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1[nH]nc2ccccc12
Show InChI InChI=1S/C23H26N6OS/c30-23(21-17-7-1-3-9-19(17)25-26-21)24-11-5-6-12-28-13-15-29(16-14-28)22-18-8-2-4-10-20(18)31-27-22/h1-4,7-10H,5-6,11-16H2,(H,24,30)(H,25,26)
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n/an/a 2.20n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036930
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=c1[nH]n(CCCCN2CCN(CC2)c2nsc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C23H25N5O2S/c29-22-17-7-1-2-8-18(17)23(30)28(24-22)12-6-5-11-26-13-15-27(16-14-26)21-19-9-3-4-10-20(19)31-25-21/h1-4,7-10H,5-6,11-16H2,(H,24,29)
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n/an/a 2.60n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50048815
PNG
(2-[5-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-pe...)
Show SMILES O=C1N(CCCCCN2CCN(CC2)c2nsc3ccccc23)Cc2ccccc12
Show InChI InChI=1S/C24H28N4OS/c29-24-20-9-3-2-8-19(20)18-28(24)13-7-1-6-12-26-14-16-27(17-15-26)23-21-10-4-5-11-22(21)30-25-23/h2-5,8-11H,1,6-7,12-18H2
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n/an/a 2.70n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding at serotonin 5-hydroxytryptamine 1A receptor from rat hippocampus tissue.


J Med Chem 39: 149-57 (1996)


Article DOI: 10.1021/jm9502201
BindingDB Entry DOI: 10.7270/Q2TQ60MN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054706
PNG
(1H-Indole-7-carboxylic acid [4-(4-benzo[d]isothiaz...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cc[nH]c12
Show InChI InChI=1S/C24H27N5OS/c30-24(20-8-5-6-18-10-12-25-22(18)20)26-11-3-4-13-28-14-16-29(17-15-28)23-19-7-1-2-9-21(19)31-27-23/h1-2,5-10,12,25H,3-4,11,13-17H2,(H,26,30)
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n/an/a 2.70n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054707
PNG
(CHEMBL344994 | Pyridine-2-carboxylic acid [4-(4-be...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccn1
Show InChI InChI=1S/C21H25N5OS/c27-21(18-8-3-4-10-22-18)23-11-5-6-12-25-13-15-26(16-14-25)20-17-7-1-2-9-19(17)28-24-20/h1-4,7-10H,5-6,11-16H2,(H,23,27)
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n/an/a 2.80n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50051265
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1ccc(F)cc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H26FN5OS/c23-16-7-8-19(24)18(15-16)22(29)25-9-3-4-10-27-11-13-28(14-12-27)21-17-5-1-2-6-20(17)30-26-21/h1-2,5-8,15H,3-4,9-14,24H2,(H,25,29)
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n/an/a 3n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50051265
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1ccc(F)cc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H26FN5OS/c23-16-7-8-19(24)18(15-16)22(29)25-9-3-4-10-27-11-13-28(14-12-27)21-17-5-1-2-6-20(17)30-26-21/h1-2,5-8,15H,3-4,9-14,24H2,(H,25,29)
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n/an/a 3n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054705
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1ncccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H26N6OS/c22-19-17(7-5-10-23-19)21(28)24-9-3-4-11-26-12-14-27(15-13-26)20-16-6-1-2-8-18(16)29-25-20/h1-2,5-8,10H,3-4,9,11-15H2,(H2,22,23)(H,24,28)
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n/an/a 3.30n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036923
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES Cc1nn(CCCCN2CCN(CC2)c2nsc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C24H27N5OS/c1-18-19-8-2-3-9-20(19)24(30)29(25-18)13-7-6-12-27-14-16-28(17-15-27)23-21-10-4-5-11-22(21)31-26-23/h2-5,8-11H,6-7,12-17H2,1H3
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n/an/a 3.40n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054715
PNG
(4-Amino-thiophene-3-carboxylic acid [4-(4-benzo[d]...)
Show SMILES Nc1cscc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C20H25N5OS2/c21-17-14-27-13-16(17)20(26)22-7-3-4-8-24-9-11-25(12-10-24)19-15-5-1-2-6-18(15)28-23-19/h1-2,5-6,13-14H,3-4,7-12,21H2,(H,22,26)
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n/an/a 3.5n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054716
PNG
(1H-Indazole-3-carboxylic acid [4-(4-benzo[d]isothi...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1[nH]nc2ccccc12
Show InChI InChI=1S/C23H26N6OS/c30-23(21-17-7-1-3-9-19(17)25-26-21)24-11-5-6-12-28-13-15-29(16-14-28)22-18-8-2-4-10-20(18)31-27-22/h1-4,7-10H,5-6,11-16H2,(H,24,30)(H,25,26)
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n/an/a 3.60n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50051284
PNG
(2-Azido-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES [N-]=[N+]=Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H25N7OS/c23-27-25-19-9-3-1-7-17(19)22(30)24-11-5-6-12-28-13-15-29(16-14-28)21-18-8-2-4-10-20(18)31-26-21/h1-4,7-10H,5-6,11-16H2,(H,24,30)
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Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM85048
PNG
(CHEMBL537481 | Glaxo 1192U90)
Show SMILES Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H27N5OS/c23-19-9-3-1-7-17(19)22(28)24-11-5-6-12-26-13-15-27(16-14-26)21-18-8-2-4-10-20(18)29-25-21/h1-4,7-10H,5-6,11-16,23H2,(H,24,28)
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n/an/a 3.80n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50051273
PNG
(CHEMBL554954 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES NNc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H28N6OS/c23-25-19-9-3-1-7-17(19)22(29)24-11-5-6-12-27-13-15-28(16-14-27)21-18-8-2-4-10-20(18)30-26-21/h1-4,7-10,25H,5-6,11-16,23H2,(H,24,29)
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n/an/a 3.80n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054714
PNG
(3-Amino-pyridine-2-carboxylic acid [4-(4-benzo[d]i...)
Show SMILES Nc1cccnc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H26N6OS/c22-17-7-5-10-23-19(17)21(28)24-9-3-4-11-26-12-14-27(15-13-26)20-16-6-1-2-8-18(16)29-25-20/h1-2,5-8,10H,3-4,9,11-15,22H2,(H,24,28)
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n/an/a 3.80n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50051252
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Cc1cccc(C(=O)NCCCCN2CCN(CC2)c2nsc3ccccc23)c1N
Show InChI InChI=1S/C23H29N5OS/c1-17-7-6-9-19(21(17)24)23(29)25-11-4-5-12-27-13-15-28(16-14-27)22-18-8-2-3-10-20(18)30-26-22/h2-3,6-10H,4-5,11-16,24H2,1H3,(H,25,29)
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Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50051252
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Cc1cccc(C(=O)NCCCCN2CCN(CC2)c2nsc3ccccc23)c1N
Show InChI InChI=1S/C23H29N5OS/c1-17-7-6-9-19(21(17)24)23(29)25-11-4-5-12-27-13-15-28(16-14-27)22-18-8-2-3-10-20(18)30-26-22/h2-3,6-10H,4-5,11-16,24H2,1H3,(H,25,29)
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n/an/a 4n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036927
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)CCCc2ccccc12
Show InChI InChI=1S/C25H30N4OS/c30-25-21-10-2-1-8-20(21)9-7-15-29(25)14-6-5-13-27-16-18-28(19-17-27)24-22-11-3-4-12-23(22)31-26-24/h1-4,8,10-12H,5-7,9,13-19H2
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n/an/a 4.10n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50051246
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES COc1cccc(C(=O)NCCCCN2CCN(CC2)c2nsc3ccccc23)c1N
Show InChI InChI=1S/C23H29N5O2S/c1-30-19-9-6-8-18(21(19)24)23(29)25-11-4-5-12-27-13-15-28(16-14-27)22-17-7-2-3-10-20(17)31-26-22/h2-3,6-10H,4-5,11-16,24H2,1H3,(H,25,29)
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Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054712
PNG
(3H-Benzoimidazole-4-carboxylic acid [4-(4-benzo[d]...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2nc[nH]c12
Show InChI InChI=1S/C23H26N6OS/c30-23(18-7-5-8-19-21(18)26-16-25-19)24-10-3-4-11-28-12-14-29(15-13-28)22-17-6-1-2-9-20(17)31-27-22/h1-2,5-9,16H,3-4,10-15H2,(H,24,30)(H,25,26)
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n/an/a 4.20n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50051283
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1cc(F)ccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H26FN5OS/c23-16-7-8-17(19(24)15-16)22(29)25-9-3-4-10-27-11-13-28(14-12-27)21-18-5-1-2-6-20(18)30-26-21/h1-2,5-8,15H,3-4,9-14,24H2,(H,25,29)
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Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50051263
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1cccc(F)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H26FN5OS/c23-17-7-5-8-18(24)20(17)22(29)25-10-3-4-11-27-12-14-28(15-13-27)21-16-6-1-2-9-19(16)30-26-21/h1-2,5-9H,3-4,10-15,24H2,(H,25,29)
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n/an/a 4.20n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054703
PNG
(CHEMBL358268 | Quinoline-8-carboxylic acid [4-(4-b...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cccnc12
Show InChI InChI=1S/C25H27N5OS/c31-25(21-10-5-7-19-8-6-13-26-23(19)21)27-12-3-4-14-29-15-17-30(18-16-29)24-20-9-1-2-11-22(20)32-28-24/h1-2,5-11,13H,3-4,12,14-18H2,(H,27,31)
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n/an/a 4.30n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50051266
PNG
((R)-2-{2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1...)
Show SMILES CC(C)[C@@H](Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12)C(O)=O
Show InChI InChI=1S/C27H35N5O3S/c1-19(2)24(27(34)35)29-22-11-5-3-9-20(22)26(33)28-13-7-8-14-31-15-17-32(18-16-31)25-21-10-4-6-12-23(21)36-30-25/h3-6,9-12,19,24,29H,7-8,13-18H2,1-2H3,(H,28,33)(H,34,35)/t24-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054704
PNG
(2,3-Dihydro-1H-indole-7-carboxylic acid [4-(4-benz...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2CCNc12
Show InChI InChI=1S/C24H29N5OS/c30-24(20-8-5-6-18-10-12-25-22(18)20)26-11-3-4-13-28-14-16-29(17-15-28)23-19-7-1-2-9-21(19)31-27-23/h1-2,5-9,25H,3-4,10-17H2,(H,26,30)
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n/an/a 4.30n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50051256
PNG
(CHEMBL556030 | {3-[4-(4-Benzo[d]isothiazol-3-yl-pi...)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C27H35N5O3S/c1-27(2,3)35-26(34)29-21-10-8-9-20(19-21)25(33)28-13-6-7-14-31-15-17-32(18-16-31)24-22-11-4-5-12-23(22)36-30-24/h4-5,8-12,19H,6-7,13-18H2,1-3H3,(H,28,33)(H,29,34)
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Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50048816
PNG
(2-[(E)-4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl...)
Show SMILES O=C1N(C\C=C\CN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C23H22N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h1-10H,11-16H2/b6-5+
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n/an/a 4.70n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding at serotonin 5-hydroxytryptamine 1A receptor from rat hippocampus tissue.


J Med Chem 39: 149-57 (1996)


Article DOI: 10.1021/jm9502201
BindingDB Entry DOI: 10.7270/Q2TQ60MN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50051255
PNG
(CHEMBL539740 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES CNc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C23H29N5OS/c1-24-20-10-4-2-8-18(20)23(29)25-12-6-7-13-27-14-16-28(17-15-27)22-19-9-3-5-11-21(19)30-26-22/h2-5,8-11,24H,6-7,12-17H2,1H3,(H,25,29)
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Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054711
PNG
(4-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1ccncc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H26N6OS/c22-18-7-9-23-15-17(18)21(28)24-8-3-4-10-26-11-13-27(14-12-26)20-16-5-1-2-6-19(16)29-25-20/h1-2,5-7,9,15H,3-4,8,10-14H2,(H2,22,23)(H,24,28)
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Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 from mice


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054719
PNG
(CHEMBL356498 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccnc1
Show InChI InChI=1S/C21H25N5OS/c27-21(17-6-5-9-22-16-17)23-10-3-4-11-25-12-14-26(15-13-25)20-18-7-1-2-8-19(18)28-24-20/h1-2,5-9,16H,3-4,10-15H2,(H,23,27)
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Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
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