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Compile Data Set for Download or QSAR

Found 203 hits from Bristol-Myers Squibb Co   
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
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM20878
PNG
((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{2-[(4-methox...)
Show SMILES COc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H24O7/c1-25-14-8-6-12(7-9-14)10-13-4-2-3-5-15(13)26-20-19(24)18(23)17(22)16(11-21)27-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of human kidney SGLT2 assessed as renal glucose reabsorption


J Med Chem 52: 1785-94 (2009)


Article DOI: 10.1021/jm8013019
BindingDB Entry DOI: 10.7270/Q2F47Q1T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM20878
PNG
((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{2-[(4-methox...)
Show SMILES COc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H24O7/c1-25-14-8-6-12(7-9-14)10-13-4-2-3-5-15(13)26-20-19(24)18(23)17(22)16(11-21)27-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of human kidney SGLT2 assessed as renal glucose reabsorption


J Med Chem 52: 1785-94 (2009)


Article DOI: 10.1021/jm8013019
BindingDB Entry DOI: 10.7270/Q2F47Q1T
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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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
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50257747
PNG
(CHEMBL494322 | remogliflozin)
Show SMILES CC(C)Oc1ccc(CC(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[nH]nc2C(C)C)cc1
Show InChI InChI=1S/C23H32N2O8/c1-11(2)18-17(15(27)9-13-5-7-14(8-6-13)31-12(3)4)22(25-24-18)33-23-21(30)20(29)19(28)16(10-26)32-23/h5-8,11-12,16,19-21,23,26,28-30H,9-10H2,1-4H3,(H,24,25)/t16-,19-,20+,21-,23+/m1/s1
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of human kidney SGLT2 assessed as renal glucose reabsorption


J Med Chem 52: 1785-94 (2009)


Article DOI: 10.1021/jm8013019
BindingDB Entry DOI: 10.7270/Q2F47Q1T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50257747
PNG
(CHEMBL494322 | remogliflozin)
Show SMILES CC(C)Oc1ccc(CC(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[nH]nc2C(C)C)cc1
Show InChI InChI=1S/C23H32N2O8/c1-11(2)18-17(15(27)9-13-5-7-14(8-6-13)31-12(3)4)22(25-24-18)33-23-21(30)20(29)19(28)16(10-26)32-23/h5-8,11-12,16,19-21,23,26,28-30H,9-10H2,1-4H3,(H,24,25)/t16-,19-,20+,21-,23+/m1/s1
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of human kidney SGLT2 assessed as renal glucose reabsorption


J Med Chem 52: 1785-94 (2009)


Article DOI: 10.1021/jm8013019
BindingDB Entry DOI: 10.7270/Q2F47Q1T
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
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of human kidney SGLT2 assessed as renal glucose reabsorption


J Med Chem 52: 1785-94 (2009)


Article DOI: 10.1021/jm8013019
BindingDB Entry DOI: 10.7270/Q2F47Q1T
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
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