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PubMed code 22450133

Compile data set for download or QSAR
Found 64 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
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50384937
PNG
(CHEMBL2036648)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccc(F)cc1
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 receptor (H3)


(Homo sapiens (human))
BDBM50384940
PNG
(CHEMBL2036651)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1cccn1C
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 receptor (H3)


(Homo sapiens (human))
BDBM50384941
PNG
(CHEMBL2036652)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1cc2ccccc2s1
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 receptor (H3)


(Homo sapiens (human))
BDBM50384928
PNG
(CHEMBL2036635)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1
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 receptor (H3)


(Homo sapiens (human))
BDBM50384939
PNG
(CHEMBL2036650)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccco1
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 receptor (H3)


(Homo sapiens (human))
BDBM50384935
PNG
(CHEMBL2036647)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)C(F)(F)F
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 receptor (H3)


(Homo sapiens (human))
BDBM50384932
PNG
(CHEMBL2036642)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(CC1)C(F)(F)F
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
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50384934
PNG
(CHEMBL2036646)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(C)=O
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 receptor (H3)


(Homo sapiens (human))
BDBM50384944
PNG
(CHEMBL2036657)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)Oc1ccc(F)cc1
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 receptor (H3)


(Homo sapiens (human))
BDBM50384927
PNG
(CHEMBL2036653)
Show SMILES COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1
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 receptor (H3)


(Homo sapiens (human))
BDBM50384926
PNG
(CHEMBL2036645)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)C1
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 receptor (H3)


(Homo sapiens (human))
BDBM50384936
PNG
(CHEMBL2036634)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)S(C)(=O)=O
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


(Rattus norvegicus (rat))
BDBM50384944
PNG
(CHEMBL2036657)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)Oc1ccc(F)cc1
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 receptor (H3)


(Homo sapiens (human))
BDBM50384943
PNG
(CHEMBL2036656)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)Oc1ccccc1
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 receptor (H3)


(Homo sapiens (human))
BDBM50384930
PNG
(CHEMBL2036654)
Show SMILES CCOC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1
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
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
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50384938
PNG
(CHEMBL2036649)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1cccs1
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 receptor (H3)


(Homo sapiens (human))
BDBM50384942
PNG
(CHEMBL2036655)
Show SMILES CC(C)COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1
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 receptor (H3)


(Homo sapiens (human))
BDBM50365043
PNG
(CHEMBL1951055)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
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5.40n/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


(Rattus norvegicus (rat))
BDBM50384937
PNG
(CHEMBL2036648)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccc(F)cc1
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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5.80n/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 receptor (H3)


(Homo sapiens (human))
BDBM50384931
PNG
(CHEMBL2036641)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(CC1)C#N
Show InChI InChI=1S/C22H31N3O2/c1-18-4-2-11-25(18)12-3-15-27-21-7-5-20(6-8-21)22(26)17-24-13-9-19(16-23)10-14-24/h5-8,18-19H,2-4,9-15,17H2,1H3/t18-/m1/s1
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6.30n/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))
BDBM50384943
PNG
(CHEMBL2036656)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)Oc1ccccc1
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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6.90n/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 receptor (H3)


(Homo sapiens (human))
BDBM50384933
PNG
(CHEMBL2036644)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCCC(F)(F)C1
Show InChI InChI=1S/C21H30F2N2O2/c1-17-5-2-12-25(17)13-4-14-27-19-8-6-18(7-9-19)20(26)15-24-11-3-10-21(22,23)16-24/h6-9,17H,2-5,10-16H2,1H3/t17-/m1/s1
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9n/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))
BDBM50384938
PNG
(CHEMBL2036649)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1cccs1
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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9n/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


(Rattus norvegicus (rat))
BDBM50384932
PNG
(CHEMBL2036642)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(CC1)C(F)(F)F
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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9.10n/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


(Rattus norvegicus (rat))
BDBM50384940
PNG
(CHEMBL2036651)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1cccn1C
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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9.40n/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 receptor (H3)


(Homo sapiens (human))
BDBM50384929
PNG
(CHEMBL2036643)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1
Show InChI InChI=1S/C21H30F2N2O2/c1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
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11n/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))
BDBM50384942
PNG
(CHEMBL2036655)
Show SMILES CC(C)COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1
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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12n/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


(Rattus norvegicus (rat))
BDBM50384928
PNG
(CHEMBL2036635)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1
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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14n/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


(Rattus norvegicus (rat))
BDBM50384939
PNG
(CHEMBL2036650)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccco1
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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16n/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


(Rattus norvegicus (rat))
BDBM50384935
PNG
(CHEMBL2036647)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)C(F)(F)F
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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17n/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


(Rattus norvegicus (rat))
BDBM50384927
PNG
(CHEMBL2036653)
Show SMILES COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1
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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19n/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


(Rattus norvegicus (rat))
BDBM50384926
PNG
(CHEMBL2036645)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)C1
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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21n/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


(Rattus norvegicus (rat))
BDBM50384931
PNG
(CHEMBL2036641)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(CC1)C#N
Show InChI InChI=1S/C22H31N3O2/c1-18-4-2-11-25(18)12-3-15-27-21-7-5-20(6-8-21)22(26)17-24-13-9-19(16-23)10-14-24/h5-8,18-19H,2-4,9-15,17H2,1H3/t18-/m1/s1
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23n/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


(Rattus norvegicus (rat))
BDBM50384930
PNG
(CHEMBL2036654)
Show SMILES CCOC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1
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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23n/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


(Rattus norvegicus (rat))
BDBM50384936
PNG
(CHEMBL2036634)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)S(C)(=O)=O
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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26n/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


(Rattus norvegicus (rat))
BDBM50384934
PNG
(CHEMBL2036646)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(C)=O
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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30n/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


(Rattus norvegicus (rat))
BDBM50384929
PNG
(CHEMBL2036643)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1
Show InChI InChI=1S/C21H30F2N2O2/c1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
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43n/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


(Rattus norvegicus (rat))
BDBM50384933
PNG
(CHEMBL2036644)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCCC(F)(F)C1
Show InChI InChI=1S/C21H30F2N2O2/c1-17-5-2-12-25(17)13-4-14-27-19-8-6-18(7-9-19)20(26)15-24-11-3-10-21(22,23)16-24/h6-9,17H,2-5,10-16H2,1H3/t17-/m1/s1
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48n/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


(Rattus norvegicus (rat))
BDBM50365043
PNG
(CHEMBL1951055)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
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50n/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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50384930
PNG
(CHEMBL2036654)
Show SMILES CCOC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1
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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n/an/a 5.00E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50384927
PNG
(CHEMBL2036653)
Show SMILES COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1
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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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50384928
PNG
(CHEMBL2036635)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1
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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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


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
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50365043
PNG
(CHEMBL1951055)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/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 CYP1A2


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
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50384929
PNG
(CHEMBL2036643)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1
Show InChI InChI=1S/C21H30F2N2O2/c1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/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 CYP2C19


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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50384929
PNG
(CHEMBL2036643)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1
Show InChI InChI=1S/C21H30F2N2O2/c1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/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 CYP2D6


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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50384927
PNG
(CHEMBL2036653)
Show SMILES COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1
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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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50384927
PNG
(CHEMBL2036653)
Show SMILES COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1
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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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


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
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50384927
PNG
(CHEMBL2036653)
Show SMILES COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1
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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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50384928
PNG
(CHEMBL2036635)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1
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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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50365043
PNG
(CHEMBL1951055)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/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 CYP3A4


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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50365043
PNG
(CHEMBL1951055)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/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 CYP2D6


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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50384927
PNG
(CHEMBL2036653)
Show SMILES COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1
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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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50384928
PNG
(CHEMBL2036635)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1
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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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50384929
PNG
(CHEMBL2036643)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1
Show InChI InChI=1S/C21H30F2N2O2/c1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/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 CYP3A4


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
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50384929
PNG
(CHEMBL2036643)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1
Show InChI InChI=1S/C21H30F2N2O2/c1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/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 CYP1A2


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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50384929
PNG
(CHEMBL2036643)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1
Show InChI InChI=1S/C21H30F2N2O2/c1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
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Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50384928
PNG
(CHEMBL2036635)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1
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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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50365043
PNG
(CHEMBL1951055)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/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 CYP2C9


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
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50365043
PNG
(CHEMBL1951055)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/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 CYP2C19


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
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50384928
PNG
(CHEMBL2036635)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1
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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MMDB

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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 CYP2C19


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 receptor (H3)


(Homo sapiens (human))
BDBM50384927
PNG
(CHEMBL2036653)
Show SMILES COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1
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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n/an/an/an/a 0.900n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor by [35S]-GTPgammaS binding assay


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 receptor (H3)


(Homo sapiens (human))
BDBM50384929
PNG
(CHEMBL2036643)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1
Show InChI InChI=1S/C21H30F2N2O2/c1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor by [35S]-GTPgammaS binding assay


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 receptor (H3)


(Homo sapiens (human))
BDBM50384928
PNG
(CHEMBL2036635)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1
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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n/an/an/an/a 1n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor by [35S]-GTPgammaS binding assay


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
* indicates data uncertainty>20%