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Compile Data Set for Download or QSAR

Found 4404 hits with Last Name = 'bacon' and Initial = 'e'   
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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50384937
PNG
(CHEMBL2036648)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H34FN3O3/c1-21-4-2-13-30(21)14-3-19-34-25-11-7-22(8-12-25)26(32)20-29-15-17-31(18-16-29)27(33)23-5-9-24(28)10-6-23/h5-12,21H,2-4,13-20H2,1H3/t21-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50384940
PNG
(CHEMBL2036651)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1cccn1C |r|
Show InChI InChI=1S/C26H36N4O3/c1-21-6-3-13-29(21)14-5-19-33-23-10-8-22(9-11-23)25(31)20-28-15-17-30(18-16-28)26(32)24-7-4-12-27(24)2/h4,7-12,21H,3,5-6,13-20H2,1-2H3/t21-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50350022
PNG
(CHEMBL1813057)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1 |r|
Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1
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1n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50384941
PNG
(CHEMBL2036652)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1cc2ccccc2s1 |r|
Show InChI InChI=1S/C29H35N3O3S/c1-22-6-4-13-31(22)14-5-19-35-25-11-9-23(10-12-25)26(33)21-30-15-17-32(18-16-30)29(34)28-20-24-7-2-3-8-27(24)36-28/h2-3,7-12,20,22H,4-6,13-19,21H2,1H3/t22-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50350022
PNG
(CHEMBL1813057)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1 |r|
Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 5493-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50353165
PNG
(CHEMBL1829472)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ncccn1 |r|
Show InChI InChI=1S/C22H25N5O2/c1-17-5-2-14-26(17)15-4-16-29-19-8-6-18(7-9-19)20-10-11-21(28)27(25-20)22-23-12-3-13-24-22/h3,6-13,17H,2,4-5,14-16H2,1H3/t17-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 5493-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50350022
PNG
(CHEMBL1813057)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1 |r|
Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50361051
PNG
(CHEMBL1935590)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNCc3oc2c1
Show InChI InChI=1S/C17H14FNO3S/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/h1-5,8-9,19H,6-7,10H2
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1.60n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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1.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human H3 receptor


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50384928
PNG
(CHEMBL2036635)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H35N3O3/c1-22-7-5-14-29(22)15-6-20-33-25-12-10-23(11-13-25)26(31)21-28-16-18-30(19-17-28)27(32)24-8-3-2-4-9-24/h2-4,8-13,22H,5-7,14-21H2,1H3/t22-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50350021
PNG
(CHEMBL1813067)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r|
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
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2n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50384939
PNG
(CHEMBL2036650)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccco1 |r|
Show InChI InChI=1S/C25H33N3O4/c1-20-5-2-11-27(20)12-4-18-31-22-9-7-21(8-10-22)23(29)19-26-13-15-28(16-14-26)25(30)24-6-3-17-32-24/h3,6-10,17,20H,2,4-5,11-16,18-19H2,1H3/t20-/m1/s1
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2n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50350021
PNG
(CHEMBL1813067)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r|
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
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2n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 5493-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50361055
PNG
(CHEMBL1935599)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCOCC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-2-1-3-15(12-14)28(24,25)16-4-5-17-18-6-9-23-21(7-10-26-11-8-21)20(18)27-19(17)13-16/h1-5,12-13,23H,6-11H2
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2.10n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50384935
PNG
(CHEMBL2036647)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)C(F)(F)F |r|
Show InChI InChI=1S/C22H30F3N3O3/c1-17-4-2-9-27(17)10-3-15-31-19-7-5-18(6-8-19)20(29)16-26-11-13-28(14-12-26)21(30)22(23,24)25/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50353181
PNG
(CHEMBL1829485)
Show SMILES C[C@H](COc1ccc(cc1)-c1ccc(=O)n(C)n1)CN1CCC[C@H]1C |r|
Show InChI InChI=1S/C20H27N3O2/c1-15(13-23-12-4-5-16(23)2)14-25-18-8-6-17(7-9-18)19-10-11-20(24)22(3)21-19/h6-11,15-16H,4-5,12-14H2,1-3H3/t15-,16+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 5493-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50350030
PNG
(CHEMBL1813060)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H27N3O2/c1-19-7-5-16-26(19)17-6-18-29-22-12-10-20(11-13-22)23-14-15-24(28)27(25-23)21-8-3-2-4-9-21/h2-4,8-15,19H,5-7,16-18H2,1H3/t19-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 5493-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50350030
PNG
(CHEMBL1813060)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H27N3O2/c1-19-7-5-16-26(19)17-6-18-29-22-12-10-20(11-13-22)23-14-15-24(28)27(25-23)21-8-3-2-4-9-21/h2-4,8-15,19H,5-7,16-18H2,1H3/t19-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50384932
PNG
(CHEMBL2036642)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(CC1)C(F)(F)F |r|
Show InChI InChI=1S/C22H31F3N2O2/c1-17-4-2-11-27(17)12-3-15-29-20-7-5-18(6-8-20)21(28)16-26-13-9-19(10-14-26)22(23,24)25/h5-8,17,19H,2-4,9-16H2,1H3/t17-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(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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2.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50350021
PNG
(CHEMBL1813067)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r|
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor in rat cortical membrane


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50350023
PNG
(CHEMBL1813065)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1 |r|
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-9-21(14)10-3-11-23-17-7-5-15(6-8-17)16-12-18(22)20-19-13-16/h5-8,12-14H,2-4,9-11H2,1H3,(H,20,22)/t14-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50384934
PNG
(CHEMBL2036646)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C22H33N3O3/c1-18-5-3-10-24(18)11-4-16-28-21-8-6-20(7-9-21)22(27)17-23-12-14-25(15-13-23)19(2)26/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50353167
PNG
(CHEMBL1829475)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1n[nH]c(=O)cc1C |r|
Show InChI InChI=1S/C19H25N3O2/c1-14-13-18(23)20-21-19(14)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,20,23)/t15-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 5493-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50361058
PNG
(CHEMBL1935594)
Show SMILES CC1(C)NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C19H18FNO3S/c1-19(2)18-16(8-9-21-19)15-7-6-14(11-17(15)24-18)25(22,23)13-5-3-4-12(20)10-13/h3-7,10-11,21H,8-9H2,1-2H3
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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 full length human 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50352798
PNG
(CHEMBL1823402)
Show SMILES Cn1nc(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c1-22-20(24)10-9-19(21-22)15-5-7-17(8-6-15)25-18-11-13-23(14-12-18)16-3-2-4-16/h5-10,16,18H,2-4,11-14H2,1H3
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3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50384944
PNG
(CHEMBL2036657)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H34FN3O4/c1-21-4-2-13-30(21)14-3-19-34-24-9-5-22(6-10-24)26(32)20-29-15-17-31(18-16-29)27(33)35-25-11-7-23(28)8-12-25/h5-12,21H,2-4,13-20H2,1H3/t21-/m1/s1
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3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50352799
PNG
(CHEMBL1823403)
Show SMILES Cn1nc(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-23-21(25)11-10-20(22-23)16-6-8-18(9-7-16)26-19-12-14-24(15-13-19)17-4-2-3-5-17/h6-11,17,19H,2-5,12-15H2,1H3
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3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352798
PNG
(CHEMBL1823402)
Show SMILES Cn1nc(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c1-22-20(24)10-9-19(21-22)15-5-7-17(8-6-15)25-18-11-13-23(14-12-18)16-3-2-4-16/h5-10,16,18H,2-4,11-14H2,1H3
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3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50353164
PNG
(CHEMBL1829469)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(CCO)n1 |r|
Show InChI InChI=1S/C20H27N3O3/c1-16-4-2-11-22(16)12-3-15-26-18-7-5-17(6-8-18)19-9-10-20(25)23(21-19)13-14-24/h5-10,16,24H,2-4,11-15H2,1H3/t16-/m1/s1
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3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 5493-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50353163
PNG
(CHEMBL1829474)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(-c2ccccn2)c(=O)[nH]n1 |r|
Show InChI InChI=1S/C23H26N4O2/c1-17-6-4-13-27(17)14-5-15-29-19-10-8-18(9-11-19)22-16-20(23(28)26-25-22)21-7-2-3-12-24-21/h2-3,7-12,16-17H,4-6,13-15H2,1H3,(H,26,28)/t17-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 5493-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50384927
PNG
(CHEMBL2036653)
Show SMILES COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r|
Show InChI InChI=1S/C22H33N3O4/c1-18-5-3-10-24(18)11-4-16-29-20-8-6-19(7-9-20)21(26)17-23-12-14-25(15-13-23)22(27)28-2/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50384936
PNG
(CHEMBL2036634)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H33N3O4S/c1-18-5-3-10-23(18)11-4-16-28-20-8-6-19(7-9-20)21(25)17-22-12-14-24(15-13-22)29(2,26)27/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50384926
PNG
(CHEMBL2036645)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C20H28F2N2O2/c1-16-4-2-10-24(16)11-3-13-26-18-7-5-17(6-8-18)19(25)14-23-12-9-20(21,22)15-23/h5-8,16H,2-4,9-15H2,1H3/t16-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50353168
PNG
(CHEMBL1829337)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(CCF)n1 |r|
Show InChI InChI=1S/C20H26FN3O2/c1-16-4-2-12-23(16)13-3-15-26-18-7-5-17(6-8-18)19-9-10-20(25)24(22-19)14-11-21/h5-10,16H,2-4,11-15H2,1H3/t16-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 5493-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50353166
PNG
(CHEMBL1829473)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(C)c(=O)[nH]n1 |r|
Show InChI InChI=1S/C19H25N3O2/c1-14-13-18(20-21-19(14)23)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,21,23)/t15-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 5493-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50384944
PNG
(CHEMBL2036657)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H34FN3O4/c1-21-4-2-13-30(21)14-3-19-34-24-9-5-22(6-10-24)26(32)20-29-15-17-31(18-16-29)27(33)35-25-11-7-23(28)8-12-25/h5-12,21H,2-4,13-20H2,1H3/t21-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50384943
PNG
(CHEMBL2036656)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)Oc1ccccc1 |r|
Show InChI InChI=1S/C27H35N3O4/c1-22-7-5-14-29(22)15-6-20-33-24-12-10-23(11-13-24)26(31)21-28-16-18-30(19-17-28)27(32)34-25-8-3-2-4-9-25/h2-4,8-13,22H,5-7,14-21H2,1H3/t22-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50350028
PNG
(CHEMBL1813058)
Show SMILES CCn1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r|
Show InChI InChI=1S/C20H27N3O2/c1-3-23-20(24)12-11-19(21-23)17-7-9-18(10-8-17)25-15-5-14-22-13-4-6-16(22)2/h7-12,16H,3-6,13-15H2,1-2H3/t16-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50384930
PNG
(CHEMBL2036654)
Show SMILES CCOC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r|
Show InChI InChI=1S/C23H35N3O4/c1-3-29-23(28)26-15-13-24(14-16-26)18-22(27)20-7-9-21(10-8-20)30-17-5-12-25-11-4-6-19(25)2/h7-10,19H,3-6,11-18H2,1-2H3/t19-/m1/s1
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4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50384941
PNG
(CHEMBL2036652)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1cc2ccccc2s1 |r|
Show InChI InChI=1S/C29H35N3O3S/c1-22-6-4-13-31(22)14-5-19-35-25-11-9-23(10-12-25)26(33)21-30-15-17-32(18-16-30)29(34)28-20-24-7-2-3-8-27(24)36-28/h2-3,7-12,20,22H,4-6,13-19,21H2,1H3/t22-/m1/s1
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4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364326
PNG
(CHEMBL1949930)
Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50384938
PNG
(CHEMBL2036649)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1cccs1 |r|
Show InChI InChI=1S/C25H33N3O3S/c1-20-5-2-11-27(20)12-4-17-31-22-9-7-21(8-10-22)23(29)19-26-13-15-28(16-14-26)25(30)24-6-3-18-32-24/h3,6-10,18,20H,2,4-5,11-17,19H2,1H3/t20-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50353169
PNG
(CHEMBL1829479)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1Cl)-c1ccc(=O)n(C)n1 |r|
Show InChI InChI=1S/C19H24ClN3O2/c1-14-5-3-10-23(14)11-4-12-25-18-8-6-15(13-16(18)20)17-7-9-19(24)22(2)21-17/h6-9,13-14H,3-5,10-12H2,1-2H3/t14-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 5493-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50361053
PNG
(CHEMBL1935601)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2
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4.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50353181
PNG
(CHEMBL1829485)
Show SMILES C[C@H](COc1ccc(cc1)-c1ccc(=O)n(C)n1)CN1CCC[C@H]1C |r|
Show InChI InChI=1S/C20H27N3O2/c1-15(13-23-12-4-5-16(23)2)14-25-18-8-6-17(7-9-18)19-10-11-20(24)22(3)21-19/h6-11,15-16H,4-5,12-14H2,1-3H3/t15-,16+/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned histamine 3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 5493-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50384942
PNG
(CHEMBL2036655)
Show SMILES CC(C)COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r|
Show InChI InChI=1S/C25H39N3O4/c1-20(2)19-32-25(30)28-15-13-26(14-16-28)18-24(29)22-7-9-23(10-8-22)31-17-5-12-27-11-4-6-21(27)3/h7-10,20-21H,4-6,11-19H2,1-3H3/t21-/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50350029
PNG
(CHEMBL1813059)
Show SMILES CC(C)n1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r|
Show InChI InChI=1S/C21H29N3O2/c1-16(2)24-21(25)12-11-20(22-24)18-7-9-19(10-8-18)26-15-5-14-23-13-4-6-17(23)3/h7-12,16-17H,4-6,13-15H2,1-3H3/t17-/m1/s1
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4.80n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
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