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PubMed code 20022752

Compile data set for download or QSAR
Found 94 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309343
PNG
(8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...)
Show SMILES Cc1cccc2N3CCNCCC3NC(=O)c12
Show InChI InChI=1S/C13H17N3O/c1-9-3-2-4-10-12(9)13(17)15-11-5-6-14-7-8-16(10)11/h2-4,11,14H,5-8H2,1H3,(H,15,17)
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2.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309345
PNG
((+)-10-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepin...)
Show SMILES Cc1ccc2C(=O)NC3CCNCCN3c2c1
Show InChI InChI=1S/C13H17N3O/c1-9-2-3-10-11(8-9)16-7-6-14-5-4-12(16)15-13(10)17/h2-3,8,12,14H,4-7H2,1H3,(H,15,17)
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6.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309334
PNG
((+)-7-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a...)
Show SMILES Cc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)12(16)14-10-7-13-5-6-15(9)10/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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8.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309344
PNG
(8-chloro-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...)
Show SMILES Clc1cccc2N3CCNCCC3NC(=O)c12
Show InChI InChI=1S/C12H14ClN3O/c13-8-2-1-3-9-11(8)12(17)15-10-4-5-14-6-7-16(9)10/h1-3,10,14H,4-7H2,(H,15,17)
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309343
PNG
(8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...)
Show SMILES Cc1cccc2N3CCNCCC3NC(=O)c12
Show InChI InChI=1S/C13H17N3O/c1-9-3-2-4-10-12(9)13(17)15-11-5-6-14-7-8-16(10)11/h2-4,11,14H,5-8H2,1H3,(H,15,17)
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309340
PNG
(7-(trifluoromethyl)-3,4,4a,5-tetrahydro-1H-pyrazin...)
Show SMILES FC(F)(F)c1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H12F3N3O/c13-12(14,15)7-2-1-3-8-10(7)11(19)17-9-6-16-4-5-18(8)9/h1-3,9,16H,4-6H2,(H,17,19)
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309338
PNG
(7-chloro-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Clc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C11H12ClN3O/c12-7-2-1-3-8-10(7)11(16)14-9-6-13-4-5-15(8)9/h1-3,9,13H,4-6H2,(H,14,16)
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18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309344
PNG
(8-chloro-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...)
Show SMILES Clc1cccc2N3CCNCCC3NC(=O)c12
Show InChI InChI=1S/C12H14ClN3O/c13-8-2-1-3-9-11(8)12(17)15-10-4-5-14-6-7-16(9)10/h1-3,10,14H,4-7H2,(H,15,17)
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23n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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24n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309345
PNG
((+)-10-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepin...)
Show SMILES Cc1ccc2C(=O)NC3CCNCCN3c2c1
Show InChI InChI=1S/C13H17N3O/c1-9-2-3-10-11(8-9)16-7-6-14-5-4-12(16)15-13(10)17/h2-3,8,12,14H,4-7H2,1H3,(H,15,17)
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41n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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48n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309342
PNG
(2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7-a]quinaz...)
Show SMILES O=C1NC2CCNCCN2c2ccccc12
Show InChI InChI=1S/C12H15N3O/c16-12-9-3-1-2-4-10(9)15-8-7-13-6-5-11(15)14-12/h1-4,11,13H,5-8H2,(H,14,16)
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49n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309345
PNG
((+)-10-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepin...)
Show SMILES Cc1ccc2C(=O)NC3CCNCCN3c2c1
Show InChI InChI=1S/C13H17N3O/c1-9-2-3-10-11(8-9)16-7-6-14-5-4-12(16)15-13(10)17/h2-3,8,12,14H,4-7H2,1H3,(H,15,17)
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51n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309345
PNG
((+)-10-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepin...)
Show SMILES Cc1ccc2C(=O)NC3CCNCCN3c2c1
Show InChI InChI=1S/C13H17N3O/c1-9-2-3-10-11(8-9)16-7-6-14-5-4-12(16)15-13(10)17/h2-3,8,12,14H,4-7H2,1H3,(H,15,17)
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60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309335
PNG
(8-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Cc1ccc2N3CCNCC3NC(=O)c2c1
Show InChI InChI=1S/C12H15N3O/c1-8-2-3-10-9(6-8)12(16)14-11-7-13-4-5-15(10)11/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16)
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61n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309342
PNG
(2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7-a]quinaz...)
Show SMILES O=C1NC2CCNCCN2c2ccccc12
Show InChI InChI=1S/C12H15N3O/c16-12-9-3-1-2-4-10(9)15-8-7-13-6-5-11(15)14-12/h1-4,11,13H,5-8H2,(H,14,16)
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67n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309339
PNG
(8-chloro-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Clc1ccc2N3CCNCC3NC(=O)c2c1
Show InChI InChI=1S/C11H12ClN3O/c12-7-1-2-9-8(5-7)11(16)14-10-6-13-3-4-15(9)10/h1-2,5,10,13H,3-4,6H2,(H,14,16)
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72n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309334
PNG
((+)-7-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a...)
Show SMILES Cc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)12(16)14-10-7-13-5-6-15(9)10/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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89n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309333
PNG
(3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6...)
Show SMILES O=C1NC2CNCCN2c2ccccc12
Show InChI InChI=1S/C11H13N3O/c15-11-8-3-1-2-4-9(8)14-6-5-12-7-10(14)13-11/h1-4,10,12H,5-7H2,(H,13,15)
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137n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309343
PNG
(8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...)
Show SMILES Cc1cccc2N3CCNCCC3NC(=O)c12
Show InChI InChI=1S/C13H17N3O/c1-9-3-2-4-10-12(9)13(17)15-11-5-6-14-7-8-16(10)11/h2-4,11,14H,5-8H2,1H3,(H,15,17)
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141n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309340
PNG
(7-(trifluoromethyl)-3,4,4a,5-tetrahydro-1H-pyrazin...)
Show SMILES FC(F)(F)c1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H12F3N3O/c13-12(14,15)7-2-1-3-8-10(7)11(19)17-9-6-16-4-5-18(8)9/h1-3,9,16H,4-6H2,(H,17,19)
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153n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309344
PNG
(8-chloro-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...)
Show SMILES Clc1cccc2N3CCNCCC3NC(=O)c12
Show InChI InChI=1S/C12H14ClN3O/c13-8-2-1-3-9-11(8)12(17)15-10-4-5-14-6-7-16(9)10/h1-3,10,14H,4-7H2,(H,15,17)
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168n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309340
PNG
(7-(trifluoromethyl)-3,4,4a,5-tetrahydro-1H-pyrazin...)
Show SMILES FC(F)(F)c1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H12F3N3O/c13-12(14,15)7-2-1-3-8-10(7)11(19)17-9-6-16-4-5-18(8)9/h1-3,9,16H,4-6H2,(H,17,19)
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184n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309334
PNG
((+)-7-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a...)
Show SMILES Cc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)12(16)14-10-7-13-5-6-15(9)10/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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206n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309338
PNG
(7-chloro-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Clc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C11H12ClN3O/c12-7-2-1-3-8-10(7)11(16)14-9-6-13-4-5-15(8)9/h1-3,9,13H,4-6H2,(H,14,16)
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223n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309334
PNG
((+)-7-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a...)
Show SMILES Cc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)12(16)14-10-7-13-5-6-15(9)10/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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229n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309342
PNG
(2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7-a]quinaz...)
Show SMILES O=C1NC2CCNCCN2c2ccccc12
Show InChI InChI=1S/C12H15N3O/c16-12-9-3-1-2-4-10(9)15-8-7-13-6-5-11(15)14-12/h1-4,11,13H,5-8H2,(H,14,16)
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269n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309336
PNG
(9-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Cc1ccc2C(=O)NC3CNCCN3c2c1
Show InChI InChI=1S/C12H15N3O/c1-8-2-3-9-10(6-8)15-5-4-13-7-11(15)14-12(9)16/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16)
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280n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309338
PNG
(7-chloro-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Clc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C11H12ClN3O/c12-7-2-1-3-8-10(7)11(16)14-9-6-13-4-5-15(8)9/h1-3,9,13H,4-6H2,(H,14,16)
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334n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309345
PNG
((+)-10-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepin...)
Show SMILES Cc1ccc2C(=O)NC3CCNCCN3c2c1
Show InChI InChI=1S/C13H17N3O/c1-9-2-3-10-11(8-9)16-7-6-14-5-4-12(16)15-13(10)17/h2-3,8,12,14H,4-7H2,1H3,(H,15,17)
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364n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309339
PNG
(8-chloro-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Clc1ccc2N3CCNCC3NC(=O)c2c1
Show InChI InChI=1S/C11H12ClN3O/c12-7-1-2-9-8(5-7)11(16)14-10-6-13-3-4-15(9)10/h1-2,5,10,13H,3-4,6H2,(H,14,16)
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397n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309345
PNG
((+)-10-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepin...)
Show SMILES Cc1ccc2C(=O)NC3CCNCCN3c2c1
Show InChI InChI=1S/C13H17N3O/c1-9-2-3-10-11(8-9)16-7-6-14-5-4-12(16)15-13(10)17/h2-3,8,12,14H,4-7H2,1H3,(H,15,17)
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454n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309336
PNG
(9-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Cc1ccc2C(=O)NC3CNCCN3c2c1
Show InChI InChI=1S/C12H15N3O/c1-8-2-3-9-10(6-8)15-5-4-13-7-11(15)14-12(9)16/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16)
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479n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309336
PNG
(9-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Cc1ccc2C(=O)NC3CNCCN3c2c1
Show InChI InChI=1S/C12H15N3O/c1-8-2-3-9-10(6-8)15-5-4-13-7-11(15)14-12(9)16/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16)
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600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309346
PNG
(CHEMBL590721 | rac-8-chloro-2,3,4,5,5a,6-hexahydro...)
Show SMILES Clc1cccc2N3CCCNCC3NC(=O)c12
Show InChI InChI=1S/C12H14ClN3O/c13-8-3-1-4-9-11(8)12(17)15-10-7-14-5-2-6-16(9)10/h1,3-4,10,14H,2,5-7H2,(H,15,17)
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734n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309339
PNG
(8-chloro-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Clc1ccc2N3CCNCC3NC(=O)c2c1
Show InChI InChI=1S/C11H12ClN3O/c12-7-1-2-9-8(5-7)11(16)14-10-6-13-3-4-15(9)10/h1-2,5,10,13H,3-4,6H2,(H,14,16)
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757n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309335
PNG
(8-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Cc1ccc2N3CCNCC3NC(=O)c2c1
Show InChI InChI=1S/C12H15N3O/c1-8-2-3-10-9(6-8)12(16)14-11-7-13-4-5-15(10)11/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16)
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998n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309335
PNG
(8-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Cc1ccc2N3CCNCC3NC(=O)c2c1
Show InChI InChI=1S/C12H15N3O/c1-8-2-3-10-9(6-8)12(16)14-11-7-13-4-5-15(10)11/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16)
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1.22E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309346
PNG
(CHEMBL590721 | rac-8-chloro-2,3,4,5,5a,6-hexahydro...)
Show SMILES Clc1cccc2N3CCCNCC3NC(=O)c12
Show InChI InChI=1S/C12H14ClN3O/c13-8-3-1-4-9-11(8)12(17)15-10-7-14-5-2-6-16(9)10/h1,3-4,10,14H,2,5-7H2,(H,15,17)
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1.55E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309333
PNG
(3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6...)
Show SMILES O=C1NC2CNCCN2c2ccccc12
Show InChI InChI=1S/C11H13N3O/c15-11-8-3-1-2-4-9(8)14-6-5-12-7-10(14)13-11/h1-4,10,12H,5-7H2,(H,13,15)
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1.94E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309333
PNG
(3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6...)
Show SMILES O=C1NC2CNCCN2c2ccccc12
Show InChI InChI=1S/C11H13N3O/c15-11-8-3-1-2-4-9(8)14-6-5-12-7-10(14)13-11/h1-4,10,12H,5-7H2,(H,13,15)
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1.98E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309334
PNG
((+)-7-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a...)
Show SMILES Cc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)12(16)14-10-7-13-5-6-15(9)10/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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2.08E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309337
PNG
(10-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qu...)
Show SMILES Cc1cccc2C(=O)NC3CNCCN3c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)15-6-5-13-7-10(15)14-12(9)16/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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2.40E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309334
PNG
((+)-7-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a...)
Show SMILES Cc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)12(16)14-10-7-13-5-6-15(9)10/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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4.48E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309337
PNG
(10-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qu...)
Show SMILES Cc1cccc2C(=O)NC3CNCCN3c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)15-6-5-13-7-10(15)14-12(9)16/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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6.15E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309341
PNG
(10-chloro-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qu...)
Show SMILES Clc1cccc2C(=O)NC3CNCCN3c12
Show InChI InChI=1S/C11H12ClN3O/c12-8-3-1-2-7-10(8)15-5-4-13-6-9(15)14-11(7)16/h1-3,9,13H,4-6H2,(H,14,16)
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>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309337
PNG
(10-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qu...)
Show SMILES Cc1cccc2C(=O)NC3CNCCN3c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)15-6-5-13-7-10(15)14-12(9)16/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309341
PNG
(10-chloro-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qu...)
Show SMILES Clc1cccc2C(=O)NC3CNCCN3c12
Show InChI InChI=1S/C11H12ClN3O/c12-8-3-1-2-7-10(8)15-5-4-13-6-9(15)14-11(7)16/h1-3,9,13H,4-6H2,(H,14,16)
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>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309341
PNG
(10-chloro-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qu...)
Show SMILES Clc1cccc2C(=O)NC3CNCCN3c12
Show InChI InChI=1S/C11H12ClN3O/c12-8-3-1-2-7-10(8)15-5-4-13-6-9(15)14-11(7)16/h1-3,9,13H,4-6H2,(H,14,16)
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>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309346
PNG
(CHEMBL590721 | rac-8-chloro-2,3,4,5,5a,6-hexahydro...)
Show SMILES Clc1cccc2N3CCCNCC3NC(=O)c12
Show InChI InChI=1S/C12H14ClN3O/c13-8-3-1-4-9-11(8)12(17)15-10-7-14-5-2-6-16(9)10/h1,3-4,10,14H,2,5-7H2,(H,15,17)
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1.36E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50309334
PNG
((+)-7-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a...)
Show SMILES Cc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)12(16)14-10-7-13-5-6-15(9)10/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50309334
PNG
((+)-7-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a...)
Show SMILES Cc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)12(16)14-10-7-13-5-6-15(9)10/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50309334
PNG
((+)-7-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a...)
Show SMILES Cc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)12(16)14-10-7-13-5-6-15(9)10/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50309334
PNG
((+)-7-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a...)
Show SMILES Cc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)12(16)14-10-7-13-5-6-15(9)10/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50309334
PNG
((+)-7-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a...)
Show SMILES Cc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)12(16)14-10-7-13-5-6-15(9)10/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309345
PNG
((+)-10-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepin...)
Show SMILES Cc1ccc2C(=O)NC3CCNCCN3c2c1
Show InChI InChI=1S/C13H17N3O/c1-9-2-3-10-11(8-9)16-7-6-14-5-4-12(16)15-13(10)17/h2-3,8,12,14H,4-7H2,1H3,(H,15,17)
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n/an/an/an/a 6.60n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309335
PNG
(8-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Cc1ccc2N3CCNCC3NC(=O)c2c1
Show InChI InChI=1S/C12H15N3O/c1-8-2-3-10-9(6-8)12(16)14-11-7-13-4-5-15(10)11/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309342
PNG
(2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7-a]quinaz...)
Show SMILES O=C1NC2CCNCCN2c2ccccc12
Show InChI InChI=1S/C12H15N3O/c16-12-9-3-1-2-4-10(9)15-8-7-13-6-5-11(15)14-12/h1-4,11,13H,5-8H2,(H,14,16)
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n/an/an/an/a 248n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309336
PNG
(9-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Cc1ccc2C(=O)NC3CNCCN3c2c1
Show InChI InChI=1S/C12H15N3O/c1-8-2-3-9-10(6-8)15-5-4-13-7-11(15)14-12(9)16/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16)
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n/an/an/an/a 34n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309343
PNG
(8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...)
Show SMILES Cc1cccc2N3CCNCCC3NC(=O)c12
Show InChI InChI=1S/C13H17N3O/c1-9-3-2-4-10-12(9)13(17)15-11-5-6-14-7-8-16(10)11/h2-4,11,14H,5-8H2,1H3,(H,15,17)
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n/an/an/an/a 2n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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n/an/an/an/a 15n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309344
PNG
(8-chloro-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...)
Show SMILES Clc1cccc2N3CCNCCC3NC(=O)c12
Show InChI InChI=1S/C12H14ClN3O/c13-8-2-1-3-9-11(8)12(17)15-10-4-5-14-6-7-16(9)10/h1-3,10,14H,4-7H2,(H,15,17)
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n/an/an/an/a 46n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309334
PNG
((+)-7-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a...)
Show SMILES Cc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)12(16)14-10-7-13-5-6-15(9)10/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309334
PNG
((+)-7-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a...)
Show SMILES Cc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)12(16)14-10-7-13-5-6-15(9)10/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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n/an/an/an/a 45n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309334
PNG
((+)-7-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a...)
Show SMILES Cc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)12(16)14-10-7-13-5-6-15(9)10/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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n/an/an/an/a 989n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309335
PNG
(8-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Cc1ccc2N3CCNCC3NC(=O)c2c1
Show InChI InChI=1S/C12H15N3O/c1-8-2-3-10-9(6-8)12(16)14-11-7-13-4-5-15(10)11/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16)
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n/an/an/an/a 133n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309340
PNG
(7-(trifluoromethyl)-3,4,4a,5-tetrahydro-1H-pyrazin...)
Show SMILES FC(F)(F)c1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H12F3N3O/c13-12(14,15)7-2-1-3-8-10(7)11(19)17-9-6-16-4-5-18(8)9/h1-3,9,16H,4-6H2,(H,17,19)
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n/an/an/an/a 92n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309345
PNG
((+)-10-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepin...)
Show SMILES Cc1ccc2C(=O)NC3CCNCCN3c2c1
Show InChI InChI=1S/C13H17N3O/c1-9-2-3-10-11(8-9)16-7-6-14-5-4-12(16)15-13(10)17/h2-3,8,12,14H,4-7H2,1H3,(H,15,17)
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n/an/an/an/a 92n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309336
PNG
(9-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Cc1ccc2C(=O)NC3CNCCN3c2c1
Show InChI InChI=1S/C12H15N3O/c1-8-2-3-9-10(6-8)15-5-4-13-7-11(15)14-12(9)16/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309340
PNG
(7-(trifluoromethyl)-3,4,4a,5-tetrahydro-1H-pyrazin...)
Show SMILES FC(F)(F)c1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H12F3N3O/c13-12(14,15)7-2-1-3-8-10(7)11(19)17-9-6-16-4-5-18(8)9/h1-3,9,16H,4-6H2,(H,17,19)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309343
PNG
(8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...)
Show SMILES Cc1cccc2N3CCNCCC3NC(=O)c12
Show InChI InChI=1S/C13H17N3O/c1-9-3-2-4-10-12(9)13(17)15-11-5-6-14-7-8-16(10)11/h2-4,11,14H,5-8H2,1H3,(H,15,17)
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n/an/an/an/a 61n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50309343
PNG
(8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...)
Show SMILES Cc1cccc2N3CCNCCC3NC(=O)c12
Show InChI InChI=1S/C13H17N3O/c1-9-3-2-4-10-12(9)13(17)15-11-5-6-14-7-8-16(10)11/h2-4,11,14H,5-8H2,1H3,(H,15,17)
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n/an/an/an/a 61n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor in rat fundus


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309344
PNG
(8-chloro-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...)
Show SMILES Clc1cccc2N3CCNCCC3NC(=O)c12
Show InChI InChI=1S/C12H14ClN3O/c13-8-2-1-3-9-11(8)12(17)15-10-4-5-14-6-7-16(9)10/h1-3,10,14H,4-7H2,(H,15,17)
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n/an/an/an/a 1.80n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309334
PNG
((+)-7-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a...)
Show SMILES Cc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)12(16)14-10-7-13-5-6-15(9)10/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309342
PNG
(2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7-a]quinaz...)
Show SMILES O=C1NC2CCNCCN2c2ccccc12
Show InChI InChI=1S/C12H15N3O/c16-12-9-3-1-2-4-10(9)15-8-7-13-6-5-11(15)14-12/h1-4,11,13H,5-8H2,(H,14,16)
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n/an/an/an/a 101n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309333
PNG
(3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6...)
Show SMILES O=C1NC2CNCCN2c2ccccc12
Show InChI InChI=1S/C11H13N3O/c15-11-8-3-1-2-4-9(8)14-6-5-12-7-10(14)13-11/h1-4,10,12H,5-7H2,(H,13,15)
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n/an/an/an/a 137n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309342
PNG
(2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7-a]quinaz...)
Show SMILES O=C1NC2CCNCCN2c2ccccc12
Show InChI InChI=1S/C12H15N3O/c16-12-9-3-1-2-4-10(9)15-8-7-13-6-5-11(15)14-12/h1-4,11,13H,5-8H2,(H,14,16)
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n/an/an/an/a 16n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309338
PNG
(7-chloro-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Clc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C11H12ClN3O/c12-7-2-1-3-8-10(7)11(16)14-9-6-13-4-5-15(8)9/h1-3,9,13H,4-6H2,(H,14,16)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309341
PNG
(10-chloro-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qu...)
Show SMILES Clc1cccc2C(=O)NC3CNCCN3c12
Show InChI InChI=1S/C11H12ClN3O/c12-8-3-1-2-7-10(8)15-5-4-13-6-9(15)14-11(7)16/h1-3,9,13H,4-6H2,(H,14,16)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309338
PNG
(7-chloro-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Clc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C11H12ClN3O/c12-7-2-1-3-8-10(7)11(16)14-9-6-13-4-5-15(8)9/h1-3,9,13H,4-6H2,(H,14,16)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309335
PNG
(8-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Cc1ccc2N3CCNCC3NC(=O)c2c1
Show InChI InChI=1S/C12H15N3O/c1-8-2-3-10-9(6-8)12(16)14-11-7-13-4-5-15(10)11/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16)
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n/an/an/an/a>705n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309336
PNG
(9-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Cc1ccc2C(=O)NC3CNCCN3c2c1
Show InChI InChI=1S/C12H15N3O/c1-8-2-3-9-10(6-8)15-5-4-13-7-11(15)14-12(9)16/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309345
PNG
((+)-10-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepin...)
Show SMILES Cc1ccc2C(=O)NC3CCNCCN3c2c1
Show InChI InChI=1S/C13H17N3O/c1-9-2-3-10-11(8-9)16-7-6-14-5-4-12(16)15-13(10)17/h2-3,8,12,14H,4-7H2,1H3,(H,15,17)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309344
PNG
(8-chloro-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...)
Show SMILES Clc1cccc2N3CCNCCC3NC(=O)c12
Show InChI InChI=1S/C12H14ClN3O/c13-8-2-1-3-9-11(8)12(17)15-10-4-5-14-6-7-16(9)10/h1-3,10,14H,4-7H2,(H,15,17)
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n/an/an/an/a 130n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309338
PNG
(7-chloro-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Clc1cccc2N3CCNCC3NC(=O)c12
Show InChI InChI=1S/C11H12ClN3O/c12-7-2-1-3-8-10(7)11(16)14-9-6-13-4-5-15(8)9/h1-3,9,13H,4-6H2,(H,14,16)
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n/an/an/an/a 43n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309339
PNG
(8-chloro-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qui...)
Show SMILES Clc1ccc2N3CCNCC3NC(=O)c2c1
Show InChI InChI=1S/C11H12ClN3O/c12-7-1-2-9-8(5-7)11(16)14-10-6-13-3-4-15(9)10/h1-2,5,10,13H,3-4,6H2,(H,14,16)
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n/an/an/an/a 110n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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n/an/an/an/a 287n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309345
PNG
((+)-10-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepin...)
Show SMILES Cc1ccc2C(=O)NC3CCNCCN3c2c1
Show InChI InChI=1S/C13H17N3O/c1-9-2-3-10-11(8-9)16-7-6-14-5-4-12(16)15-13(10)17/h2-3,8,12,14H,4-7H2,1H3,(H,15,17)
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n/an/an/an/a 952n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309343
PNG
(8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...)
Show SMILES Cc1cccc2N3CCNCCC3NC(=O)c12
Show InChI InChI=1S/C13H17N3O/c1-9-3-2-4-10-12(9)13(17)15-11-5-6-14-7-8-16(10)11/h2-4,11,14H,5-8H2,1H3,(H,15,17)
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n/an/an/an/a 70n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50309337
PNG
(10-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qu...)
Show SMILES Cc1cccc2C(=O)NC3CNCCN3c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)15-6-5-13-7-10(15)14-12(9)16/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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n/an/an/an/a 4.20E+3n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50309345
PNG
((+)-10-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepin...)
Show SMILES Cc1ccc2C(=O)NC3CCNCCN3c2c1
Show InChI InChI=1S/C13H17N3O/c1-9-2-3-10-11(8-9)16-7-6-14-5-4-12(16)15-13(10)17/h2-3,8,12,14H,4-7H2,1H3,(H,15,17)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50309337
PNG
(10-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]qu...)
Show SMILES Cc1cccc2C(=O)NC3CNCCN3c12
Show InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)15-6-5-13-7-10(15)14-12(9)16/h2-4,10,13H,5-7H2,1H3,(H,14,16)
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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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n/an/an/an/a 290n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in HEK293E cells by FLIPR assay


Bioorg Med Chem Lett 20: 1128-33 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.014
BindingDB Entry DOI: 10.7270/Q2K074DK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%