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37 similar compounds to monomer 85048

Compile data set for download or QSAR
Wt: 406.5
BDBM50036922
Wt: 409.5
BDBM50051244
Wt: 423.5
BDBM50051245
Wt: 439.5
BDBM50051246
Wt: 394.5
BDBM50051247
Wt: 450.6
BDBM50051248
Wt: 443.9
BDBM50051249
Wt: 423.5
BDBM50051252
Wt: 410.5
BDBM50051253
Wt: 423.5
BDBM50051255
Wt: 408.5
BDBM50051257
Wt: 439.5
BDBM50051258
Wt: 427.5
BDBM50051259
Wt: 477.5
BDBM50051260
Wt: 463.4
BDBM50051261
Displayed 1 to 15 (of 37 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50036922,50051244,50051245,50051246,50051247,50051248,50051249,50051252,50051253,50051255,50051257,50051258,50051259,50051260,50051261   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50036922
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)Cc2ccccc12
Show InChI InChI=1S/C23H26N4OS/c28-23-19-8-2-1-7-18(19)17-27(23)12-6-5-11-25-13-15-26(16-14-25)22-20-9-3-4-10-21(20)29-24-22/h1-4,7-10H,5-6,11-17H2
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n/an/a 43n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured by displacement of [3H]- raclopride from D2 receptor isolated from the striata of male Dawley rats


J Med Chem 37: 2552-63 (1994)


Article DOI: 10.1021/jm00042a008
BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50051253
PNG
(CHEMBL544908 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES Oc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H26N4O2S/c27-19-9-3-1-7-17(19)22(28)23-11-5-6-12-25-13-15-26(16-14-25)21-18-8-2-4-10-20(18)29-24-21/h1-4,7-10,27H,5-6,11-16H2,(H,23,28)
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n/an/a 12n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50036922
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)Cc2ccccc12
Show InChI InChI=1S/C23H26N4OS/c28-23-19-8-2-1-7-18(19)17-27(23)12-6-5-11-25-13-15-26(16-14-25)22-20-9-3-4-10-21(20)29-24-22/h1-4,7-10H,5-6,11-17H2
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n/an/a 43n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-raclopride binding at Dopamine receptor D2 from rat striata.


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))
BDBM50036922
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)Cc2ccccc12
Show InChI InChI=1S/C23H26N4OS/c28-23-19-8-2-1-7-18(19)17-27(23)12-6-5-11-25-13-15-26(16-14-25)22-20-9-3-4-10-21(20)29-24-22/h1-4,7-10H,5-6,11-17H2
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n/an/a 7n/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))
BDBM50051260
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1cc(ccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C23H26F3N5OS/c24-23(25,26)16-7-8-17(19(27)15-16)22(32)28-9-3-4-10-30-11-13-31(14-12-30)21-18-5-1-2-6-20(18)33-29-21/h1-2,5-8,15H,3-4,9-14,27H2,(H,28,32)
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n/an/a 12n/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
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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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n/an/a 7.80n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50051253
PNG
(CHEMBL544908 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES Oc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H26N4O2S/c27-19-9-3-1-7-17(19)22(28)23-11-5-6-12-25-13-15-26(16-14-25)21-18-8-2-4-10-20(18)29-24-21/h1-4,7-10,27H,5-6,11-16H2,(H,23,28)
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n/an/a 5.80n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50051258
PNG
(CHEMBL553382 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)NCCCCN1CCN(CC1)c1n[s+]c2cccc[c-]12
Show InChI InChI=1S/C22H25N5O3S/c28-22(17-7-1-3-9-19(17)27(29)30)23-11-5-6-12-25-13-15-26(16-14-25)21-18-8-2-4-10-20(18)31-24-21/h1-4,7-10H,5-6,11-16H2,(H,23,28)
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n/an/a 14n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50051247
PNG
(CHEMBL542310 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H26N4OS/c27-22(18-8-2-1-3-9-18)23-12-6-7-13-25-14-16-26(17-15-25)21-19-10-4-5-11-20(19)28-24-21/h1-5,8-11H,6-7,12-17H2,(H,23,27)
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n/an/a 26n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50051244
PNG
(3-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H27N5OS/c23-18-7-5-6-17(16-18)22(28)24-10-3-4-11-26-12-14-27(15-13-26)21-19-8-1-2-9-20(19)29-25-21/h1-2,5-9,16H,3-4,10-15,23H2,(H,24,28)
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n/an/a 66n/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))
BDBM50051245
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Cc1cccc(N)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C23H29N5OS/c1-17-7-6-9-19(24)21(17)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 64n/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))
BDBM50051248
PNG
(CHEMBL536566 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C26H34N4OS/c1-26(2,3)21-12-10-20(11-13-21)25(31)27-14-6-7-15-29-16-18-30(19-17-29)24-22-8-4-5-9-23(22)32-28-24/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,27,31)
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n/an/a 520n/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))
BDBM50051247
PNG
(CHEMBL542310 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H26N4OS/c27-22(18-8-2-1-3-9-18)23-12-6-7-13-25-14-16-26(17-15-25)21-19-10-4-5-11-20(19)28-24-21/h1-5,8-11H,6-7,12-17H2,(H,23,27)
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n/an/a 5.20n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50051249
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1ccc(Cl)cc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H26ClN5OS/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 9.40n/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))
BDBM50051244
PNG
(3-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H27N5OS/c23-18-7-5-6-17(16-18)22(28)24-10-3-4-11-26-12-14-27(15-13-26)21-19-8-1-2-9-20(19)29-25-21/h1-2,5-9,16H,3-4,10-15,23H2,(H,24,28)
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n/an/a 6.60n/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))
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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n/an/a 10n/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))
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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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n/an/a 13n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50051261
PNG
(CHEMBL537025 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24Cl2N4OS/c23-17-13-16(14-18(24)15-17)22(29)25-7-3-4-8-27-9-11-28(12-10-27)21-19-5-1-2-6-20(19)30-26-21/h1-2,5-6,13-15H,3-4,7-12H2,(H,25,29)
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n/an/a 100n/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
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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n/an/a 4.70n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50051260
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1cc(ccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C23H26F3N5OS/c24-23(25,26)16-7-8-17(19(27)15-16)22(32)28-9-3-4-10-30-11-13-31(14-12-30)21-18-5-1-2-6-20(18)33-29-21/h1-2,5-8,15H,3-4,9-14,27H2,(H,28,32)
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n/an/a 18n/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))
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]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))
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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n/an/a 4.10n/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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n/an/a 1.5n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50051249
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1ccc(Cl)cc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H26ClN5OS/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 13n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50051248
PNG
(CHEMBL536566 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C26H34N4OS/c1-26(2,3)21-12-10-20(11-13-21)25(31)27-14-6-7-15-29-16-18-30(19-17-29)24-22-8-4-5-9-23(22)32-28-24/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,27,31)
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n/an/a 340n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50051245
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Cc1cccc(N)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C23H29N5OS/c1-17-7-6-9-19(24)21(17)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 290n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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 17n/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))
BDBM50051258
PNG
(CHEMBL553382 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)NCCCCN1CCN(CC1)c1n[s+]c2cccc[c-]12
Show InChI InChI=1S/C22H25N5O3S/c28-22(17-7-1-3-9-19(17)27(29)30)23-11-5-6-12-25-13-15-26(16-14-25)21-18-8-2-4-10-20(18)31-24-21/h1-4,7-10H,5-6,11-16H2,(H,23,28)
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n/an/a 6.40n/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))
BDBM50051261
PNG
(CHEMBL537025 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24Cl2N4OS/c23-17-13-16(14-18(24)15-17)22(29)25-7-3-4-8-27-9-11-28(12-10-27)21-19-5-1-2-6-20(19)30-26-21/h1-2,5-6,13-15H,3-4,7-12H2,(H,25,29)
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n/an/a 49n/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))
BDBM50036922
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)Cc2ccccc12
Show InChI InChI=1S/C23H26N4OS/c28-23-19-8-2-1-7-18(19)17-27(23)12-6-5-11-25-13-15-26(16-14-25)22-20-9-3-4-10-21(20)29-24-22/h1-4,7-10H,5-6,11-17H2
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n/an/a 7n/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)


Article DOI: 10.1021/jm00042a008
BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair