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PubMed code 22226656

Compile data set for download or QSAR
Found 75 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 6 (5-HT6)


(Homo sapiens (human))
BDBM50364323
PNG
(CHEMBL1949928)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H15Cl2NO3S/c18-13-2-1-3-16(17(13)19)24(21,22)10-4-5-11-12-6-7-20-9-15(12)23-14(11)8-10/h1-5,8,12,15,20H,6-7,9H2/t12-,15-/m0/s1
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2n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361052
PNG
(CHEMBL1935589 | CHEMBL1949758)
Show SMILES O=S(=O)(c1ccccc1)c1ccc2c3CCNCc3oc2c1
Show InChI InChI=1S/C17H15NO3S/c19-22(20,12-4-2-1-3-5-12)13-6-7-14-15-8-9-18-11-17(15)21-16(14)10-13/h1-7,10,18H,8-9,11H2
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2.90n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364323
PNG
(CHEMBL1949928)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H15Cl2NO3S/c18-13-2-1-3-16(17(13)19)24(21,22)10-4-5-11-12-6-7-20-9-15(12)23-14(11)8-10/h1-5,8,12,15,20H,6-7,9H2/t12-,15-/m0/s1
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5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364312
PNG
(CHEMBL1949764)
Show SMILES Clc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H16ClNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1
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11n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364311
PNG
(CHEMBL1949763)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H16FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1
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11n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364322
PNG
(CHEMBL1949927)
Show SMILES Fc1cc(Cl)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H15ClFNO3S/c18-10-5-11(19)7-13(6-10)24(21,22)12-1-2-14-15-3-4-20-9-17(15)23-16(14)8-12/h1-2,5-8,15,17,20H,3-4,9H2/t15-,17-/m0/s1
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11n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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12n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364310
PNG
(CHEMBL1949762)
Show SMILES O=S(=O)(c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C23H21NO3S/c25-28(26,23-9-5-4-8-18(23)16-6-2-1-3-7-16)17-10-11-19-20-12-13-24-15-22(20)27-21(19)14-17/h1-11,14,20,22,24H,12-13,15H2/t20-,22-/m0/s1
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15n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364316
PNG
(CHEMBL1949768)
Show SMILES CC(C)Oc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C20H23NO4S/c1-13(2)24-14-4-3-5-15(10-14)26(22,23)16-6-7-17-18-8-9-21-12-20(18)25-19(17)11-16/h3-7,10-11,13,18,20-21H,8-9,12H2,1-2H3/t18-,20-/m0/s1
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17n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364325
PNG
(CHEMBL1949929)
Show SMILES CC(C)Oc1cccc(c1F)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C20H22FNO4S/c1-12(2)25-16-4-3-5-19(20(16)21)27(23,24)13-6-7-14-15-8-9-22-11-18(15)26-17(14)10-13/h3-7,10,12,15,18,22H,8-9,11H2,1-2H3/t15-,18-/m0/s1
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21n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364311
PNG
(CHEMBL1949763)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H16FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1
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21n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364316
PNG
(CHEMBL1949768)
Show SMILES CC(C)Oc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C20H23NO4S/c1-13(2)24-14-4-3-5-15(10-14)26(22,23)16-6-7-17-18-8-9-21-12-20(18)25-19(17)11-16/h3-7,10-11,13,18,20-21H,8-9,12H2,1-2H3/t18-,20-/m0/s1
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23n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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27n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364321
PNG
(CHEMBL1949773)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H15F2NO3S/c18-10-5-11(19)7-13(6-10)24(21,22)12-1-2-14-15-3-4-20-9-17(15)23-16(14)8-12/h1-2,5-8,15,17,20H,3-4,9H2/t15-,17-/m0/s1
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28n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364316
PNG
(CHEMBL1949768)
Show SMILES CC(C)Oc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C20H23NO4S/c1-13(2)24-14-4-3-5-15(10-14)26(22,23)16-6-7-17-18-8-9-21-12-20(18)25-19(17)11-16/h3-7,10-11,13,18,20-21H,8-9,12H2,1-2H3/t18-,20-/m0/s1
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31n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364308
PNG
(CHEMBL1949760)
Show SMILES Fc1ccccc1S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H16FNO3S/c18-14-3-1-2-4-17(14)23(20,21)11-5-6-12-13-7-8-19-10-16(13)22-15(12)9-11/h1-6,9,13,16,19H,7-8,10H2/t13-,16-/m0/s1
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32n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364313
PNG
(CHEMBL1949765)
Show SMILES Cc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C18H19NO3S/c1-12-3-2-4-13(9-12)23(20,21)14-5-6-15-16-7-8-19-11-18(16)22-17(15)10-14/h2-6,9-10,16,18-19H,7-8,11H2,1H3/t16-,18-/m0/s1
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37n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364309
PNG
(CHEMBL1949761)
Show SMILES Clc1ccccc1S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H16ClNO3S/c18-14-3-1-2-4-17(14)23(20,21)11-5-6-12-13-7-8-19-10-16(13)22-15(12)9-11/h1-6,9,13,16,19H,7-8,10H2/t13-,16-/m0/s1
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38n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50364312
PNG
(CHEMBL1949764)
Show SMILES Clc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H16ClNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1
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40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364314
PNG
(CHEMBL1949766)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C18H16F3NO3S/c19-18(20,21)11-2-1-3-12(8-11)26(23,24)13-4-5-14-15-6-7-22-10-17(15)25-16(14)9-13/h1-5,8-9,15,17,22H,6-7,10H2/t15-,17-/m0/s1
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48n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364324
PNG
(CHEMBL1949677)
Show SMILES CC(C)Oc1cc(F)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C20H22FNO4S/c1-12(2)25-14-7-13(21)8-16(9-14)27(23,24)15-3-4-17-18-5-6-22-11-20(18)26-19(17)10-15/h3-4,7-10,12,18,20,22H,5-6,11H2,1-2H3/t18-,20-/m0/s1
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49n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50364311
PNG
(CHEMBL1949763)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H16FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1
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52n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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55n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364325
PNG
(CHEMBL1949929)
Show SMILES CC(C)Oc1cccc(c1F)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C20H22FNO4S/c1-12(2)25-16-4-3-5-19(20(16)21)27(23,24)13-6-7-14-15-8-9-22-11-18(15)26-17(14)10-13/h3-7,10,12,15,18,22H,8-9,11H2,1-2H3/t15-,18-/m0/s1
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56n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364320
PNG
(CHEMBL1949772)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C18H19NO3S/c1-12-2-4-13(5-3-12)23(20,21)14-6-7-15-16-8-9-19-11-18(16)22-17(15)10-14/h2-7,10,16,18-19H,8-9,11H2,1H3/t16-,18-/m0/s1
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64n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364324
PNG
(CHEMBL1949677)
Show SMILES CC(C)Oc1cc(F)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C20H22FNO4S/c1-12(2)25-14-7-13(21)8-16(9-14)27(23,24)15-3-4-17-18-5-6-22-11-20(18)26-19(17)10-15/h3-4,7-10,12,18,20,22H,5-6,11H2,1-2H3/t18-,20-/m0/s1
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65n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364322
PNG
(CHEMBL1949927)
Show SMILES Fc1cc(Cl)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H15ClFNO3S/c18-10-5-11(19)7-13(6-10)24(21,22)12-1-2-14-15-3-4-20-9-17(15)23-16(14)8-12/h1-2,5-8,15,17,20H,3-4,9H2/t15-,17-/m0/s1
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68n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364307
PNG
(CHEMBL1949759)
Show SMILES O=S(=O)(c1ccccc1)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H17NO3S/c19-22(20,12-4-2-1-3-5-12)13-6-7-14-15-8-9-18-11-17(15)21-16(14)10-13/h1-7,10,15,17-18H,8-9,11H2/t15-,17-/m0/s1
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83n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364315
PNG
(CHEMBL1949767)
Show SMILES COc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C18H19NO4S/c1-22-12-3-2-4-13(9-12)24(20,21)14-5-6-15-16-7-8-19-11-18(16)23-17(15)10-14/h2-6,9-10,16,18-19H,7-8,11H2,1H3/t16-,18-/m0/s1
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85n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364311
PNG
(CHEMBL1949763)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H16FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1
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85n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50364310
PNG
(CHEMBL1949762)
Show SMILES O=S(=O)(c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C23H21NO3S/c25-28(26,23-9-5-4-8-18(23)16-6-2-1-3-7-16)17-10-11-19-20-12-13-24-15-22(20)27-21(19)14-17/h1-11,14,20,22,24H,12-13,15H2/t20-,22-/m0/s1
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136n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50364308
PNG
(CHEMBL1949760)
Show SMILES Fc1ccccc1S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H16FNO3S/c18-14-3-1-2-4-17(14)23(20,21)11-5-6-12-13-7-8-19-10-16(13)22-15(12)9-11/h1-6,9,13,16,19H,7-8,10H2/t13-,16-/m0/s1
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145n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50364316
PNG
(CHEMBL1949768)
Show SMILES CC(C)Oc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C20H23NO4S/c1-13(2)24-14-4-3-5-15(10-14)26(22,23)16-6-7-17-18-8-9-21-12-20(18)25-19(17)11-16/h3-7,10-11,13,18,20-21H,8-9,12H2,1-2H3/t18-,20-/m0/s1
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156n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364321
PNG
(CHEMBL1949773)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H15F2NO3S/c18-10-5-11(19)7-13(6-10)24(21,22)12-1-2-14-15-3-4-20-9-17(15)23-16(14)8-12/h1-2,5-8,15,17,20H,3-4,9H2/t15-,17-/m0/s1
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166n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50364321
PNG
(CHEMBL1949773)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H15F2NO3S/c18-10-5-11(19)7-13(6-10)24(21,22)12-1-2-14-15-3-4-20-9-17(15)23-16(14)8-12/h1-2,5-8,15,17,20H,3-4,9H2/t15-,17-/m0/s1
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174n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364318
PNG
(CHEMBL1949770)
Show SMILES COCCCOc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-25-10-3-11-26-15-4-2-5-16(12-15)28(23,24)17-6-7-18-19-8-9-22-14-21(19)27-20(18)13-17/h2,4-7,12-13,19,21-22H,3,8-11,14H2,1H3/t19-,21-/m0/s1
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203n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50364309
PNG
(CHEMBL1949761)
Show SMILES Clc1ccccc1S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H16ClNO3S/c18-14-3-1-2-4-17(14)23(20,21)11-5-6-12-13-7-8-19-10-16(13)22-15(12)9-11/h1-6,9,13,16,19H,7-8,10H2/t13-,16-/m0/s1
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206n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50364320
PNG
(CHEMBL1949772)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C18H19NO3S/c1-12-2-4-13(5-3-12)23(20,21)14-6-7-15-16-8-9-19-11-18(16)22-17(15)10-14/h2-7,10,16,18-19H,8-9,11H2,1H3/t16-,18-/m0/s1
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236n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50364313
PNG
(CHEMBL1949765)
Show SMILES Cc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C18H19NO3S/c1-12-3-2-4-13(9-12)23(20,21)14-5-6-15-16-7-8-19-11-18(16)22-17(15)10-14/h2-6,9-10,16,18-19H,7-8,11H2,1H3/t16-,18-/m0/s1
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243n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364319
PNG
(CHEMBL1949771)
Show SMILES Fc1ccc(cc1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H16FNO3S/c18-11-1-3-12(4-2-11)23(20,21)13-5-6-14-15-7-8-19-10-17(15)22-16(14)9-13/h1-6,9,15,17,19H,7-8,10H2/t15-,17-/m0/s1
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385n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364317
PNG
(CHEMBL1949769)
Show SMILES COCCOc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C20H23NO5S/c1-24-9-10-25-14-3-2-4-15(11-14)27(22,23)16-5-6-17-18-7-8-21-13-20(18)26-19(17)12-16/h2-6,11-12,18,20-21H,7-10,13H2,1H3/t18-,20-/m0/s1
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562n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50364321
PNG
(CHEMBL1949773)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H15F2NO3S/c18-10-5-11(19)7-13(6-10)24(21,22)12-1-2-14-15-3-4-20-9-17(15)23-16(14)8-12/h1-2,5-8,15,17,20H,3-4,9H2/t15-,17-/m0/s1
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2.18E+3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat recombinant 5HT6 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 5HT2A


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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6.20E+3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 5HT2B


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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1.90E+4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 5HT2C


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364323
PNG
(CHEMBL1949928)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H15Cl2NO3S/c18-13-2-1-3-16(17(13)19)24(21,22)10-4-5-11-12-6-7-20-9-15(12)23-14(11)8-10/h1-5,8,12,15,20H,6-7,9H2/t12-,15-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364312
PNG
(CHEMBL1949764)
Show SMILES Clc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H16ClNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364311
PNG
(CHEMBL1949763)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H16FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364323
PNG
(CHEMBL1949928)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H15Cl2NO3S/c18-13-2-1-3-16(17(13)19)24(21,22)10-4-5-11-12-6-7-20-9-15(12)23-14(11)8-10/h1-5,8,12,15,20H,6-7,9H2/t12-,15-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364322
PNG
(CHEMBL1949927)
Show SMILES Fc1cc(Cl)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H15ClFNO3S/c18-10-5-11(19)7-13(6-10)24(21,22)12-1-2-14-15-3-4-20-9-17(15)23-16(14)8-12/h1-2,5-8,15,17,20H,3-4,9H2/t15-,17-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364321
PNG
(CHEMBL1949773)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H15F2NO3S/c18-10-5-11(19)7-13(6-10)24(21,22)12-1-2-14-15-3-4-20-9-17(15)23-16(14)8-12/h1-2,5-8,15,17,20H,3-4,9H2/t15-,17-/m0/s1
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n/an/a 96n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364309
PNG
(CHEMBL1949761)
Show SMILES Clc1ccccc1S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H16ClNO3S/c18-14-3-1-2-4-17(14)23(20,21)11-5-6-12-13-7-8-19-10-16(13)22-15(12)9-11/h1-6,9,13,16,19H,7-8,10H2/t13-,16-/m0/s1
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n/an/a 133n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364310
PNG
(CHEMBL1949762)
Show SMILES O=S(=O)(c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C23H21NO3S/c25-28(26,23-9-5-4-8-18(23)16-6-2-1-3-7-16)17-10-11-19-20-12-13-24-15-22(20)27-21(19)14-17/h1-11,14,20,22,24H,12-13,15H2/t20-,22-/m0/s1
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n/an/a 135n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364308
PNG
(CHEMBL1949760)
Show SMILES Fc1ccccc1S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H16FNO3S/c18-14-3-1-2-4-17(14)23(20,21)11-5-6-12-13-7-8-19-10-16(13)22-15(12)9-11/h1-6,9,13,16,19H,7-8,10H2/t13-,16-/m0/s1
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n/an/a 179n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364313
PNG
(CHEMBL1949765)
Show SMILES Cc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C18H19NO3S/c1-12-3-2-4-13(9-12)23(20,21)14-5-6-15-16-7-8-19-11-18(16)22-17(15)10-14/h2-6,9-10,16,18-19H,7-8,11H2,1H3/t16-,18-/m0/s1
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n/an/a 227n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364320
PNG
(CHEMBL1949772)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C18H19NO3S/c1-12-2-4-13(5-3-12)23(20,21)14-6-7-15-16-8-9-19-11-18(16)22-17(15)10-14/h2-7,10,16,18-19H,8-9,11H2,1H3/t16-,18-/m0/s1
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n/an/a 245n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364315
PNG
(CHEMBL1949767)
Show SMILES COc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C18H19NO4S/c1-22-12-3-2-4-13(9-12)24(20,21)14-5-6-15-16-7-8-19-11-18(16)23-17(15)10-14/h2-6,9-10,16,18-19H,7-8,11H2,1H3/t16-,18-/m0/s1
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n/an/a 281n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364316
PNG
(CHEMBL1949768)
Show SMILES CC(C)Oc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C20H23NO4S/c1-13(2)24-14-4-3-5-15(10-14)26(22,23)16-6-7-17-18-8-9-21-12-20(18)25-19(17)11-16/h3-7,10-11,13,18,20-21H,8-9,12H2,1-2H3/t18-,20-/m0/s1
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n/an/a 306n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364314
PNG
(CHEMBL1949766)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C18H16F3NO3S/c19-18(20,21)11-2-1-3-12(8-11)26(23,24)13-4-5-14-15-6-7-22-10-17(15)25-16(14)9-13/h1-5,8-9,15,17,22H,6-7,10H2/t15-,17-/m0/s1
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n/an/a 357n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364322
PNG
(CHEMBL1949927)
Show SMILES Fc1cc(Cl)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H15ClFNO3S/c18-10-5-11(19)7-13(6-10)24(21,22)12-1-2-14-15-3-4-20-9-17(15)23-16(14)8-12/h1-2,5-8,15,17,20H,3-4,9H2/t15-,17-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50364321
PNG
(CHEMBL1949773)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C17H15F2NO3S/c18-10-5-11(19)7-13(6-10)24(21,22)12-1-2-14-15-3-4-20-9-17(15)23-16(14)8-12/h1-2,5-8,15,17,20H,3-4,9H2/t15-,17-/m0/s1
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n/an/a 1.36E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of M1 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NA transporter


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of M4 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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n/an/a>5.90E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP 3A4


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DA transporter


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of M2 receptor


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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n/an/a>2.29E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP 2C19


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP 2D6


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP 2C9


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1
Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP 1A2


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%