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PubMed code 22197136

Compile data set for download or QSAR
Found 29 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))
BDBM50363325
PNG
(CHEMBL1945843)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1
Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-13-26(18)14-5-15-29-21-10-8-19(9-11-21)20-16-23(28)27(25-17-20)22-7-2-3-12-24-22/h2-3,7-12,16-18H,4-6,13-15H2,1H3/t18-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50363320
PNG
(CHEMBL1945844)
Show SMILES O=c1cc(cn[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C19H23N3O2/c23-19-12-15(13-20-21-19)14-4-6-17(7-5-14)24-18-8-10-22(11-9-18)16-2-1-3-16/h4-7,12-13,16,18H,1-3,8-11H2,(H,21,23)
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2n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50363320
PNG
(CHEMBL1945844)
Show SMILES O=c1cc(cn[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C19H23N3O2/c23-19-12-15(13-20-21-19)14-4-6-17(7-5-14)24-18-8-10-22(11-9-18)16-2-1-3-16/h4-7,12-13,16,18H,1-3,8-11H2,(H,21,23)
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2n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50363322
PNG
(CHEMBL1945851)
Show SMILES Cc1nn(-c2ccsc2)c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H27N3O2S/c1-17-23(15-24(28)27(25-17)20-11-14-30-16-20)18-5-7-21(8-6-18)29-22-9-12-26(13-10-22)19-3-2-4-19/h5-8,11,14-16,19,22H,2-4,9-10,12-13H2,1H3
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3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50363317
PNG
(CHEMBL1945848)
Show SMILES Cc1nn(-c2ccccn2)c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C25H28N4O2/c1-18-23(17-25(30)29(27-18)24-7-2-3-14-26-24)19-8-10-21(11-9-19)31-22-12-15-28(16-13-22)20-5-4-6-20/h2-3,7-11,14,17,20,22H,4-6,12-13,15-16H2,1H3
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3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50363325
PNG
(CHEMBL1945843)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1
Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-13-26(18)14-5-15-29-21-10-8-19(9-11-21)20-16-23(28)27(25-17-20)22-7-2-3-12-24-22/h2-3,7-12,16-18H,4-6,13-15H2,1H3/t18-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50363323
PNG
(CHEMBL1945847)
Show SMILES Cc1nn(C)c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-15-20(14-21(25)23(2)22-15)16-6-8-18(9-7-16)26-19-10-12-24(13-11-19)17-4-3-5-17/h6-9,14,17,19H,3-5,10-13H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50363319
PNG
(CHEMBL1945849)
Show SMILES Cc1cccc(n1)-n1nc(C)c(cc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C26H30N4O2/c1-18-5-3-8-25(27-18)30-26(31)17-24(19(2)28-30)20-9-11-22(12-10-20)32-23-13-15-29(16-14-23)21-6-4-7-21/h3,5,8-12,17,21,23H,4,6-7,13-16H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50363316
PNG
(CHEMBL1945845)
Show SMILES Cc1n[nH]c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c1-14-19(13-20(24)22-21-14)15-5-7-17(8-6-15)25-18-9-11-23(12-10-18)16-3-2-4-16/h5-8,13,16,18H,2-4,9-12H2,1H3,(H,22,24)
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5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50363316
PNG
(CHEMBL1945845)
Show SMILES Cc1n[nH]c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c1-14-19(13-20(24)22-21-14)15-5-7-17(8-6-15)25-18-9-11-23(12-10-18)16-3-2-4-16/h5-8,13,16,18H,2-4,9-12H2,1H3,(H,22,24)
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6n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50363318
PNG
(CHEMBL1945850)
Show SMILES Cc1cccnc1-n1nc(C)c(cc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C26H30N4O2/c1-18-5-4-14-27-26(18)30-25(31)17-24(19(2)28-30)20-8-10-22(11-9-20)32-23-12-15-29(16-13-23)21-6-3-7-21/h4-5,8-11,14,17,21,23H,3,6-7,12-13,15-16H2,1-2H3
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6n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50363322
PNG
(CHEMBL1945851)
Show SMILES Cc1nn(-c2ccsc2)c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H27N3O2S/c1-17-23(15-24(28)27(25-17)20-11-14-30-16-20)18-5-7-21(8-6-18)29-22-9-12-26(13-10-22)19-3-2-4-19/h5-8,11,14-16,19,22H,2-4,9-10,12-13H2,1H3
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8n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50363323
PNG
(CHEMBL1945847)
Show SMILES Cc1nn(C)c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-15-20(14-21(25)23(2)22-15)16-6-8-18(9-7-16)26-19-10-12-24(13-11-19)17-4-3-5-17/h6-9,14,17,19H,3-5,10-13H2,1-2H3
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8n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50363317
PNG
(CHEMBL1945848)
Show SMILES Cc1nn(-c2ccccn2)c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C25H28N4O2/c1-18-23(17-25(30)29(27-18)24-7-2-3-14-26-24)19-8-10-21(11-9-19)31-22-12-15-28(16-13-22)20-5-4-6-20/h2-3,7-11,14,17,20,22H,4-6,12-13,15-16H2,1H3
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9n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50363319
PNG
(CHEMBL1945849)
Show SMILES Cc1cccc(n1)-n1nc(C)c(cc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C26H30N4O2/c1-18-5-3-8-25(27-18)30-26(31)17-24(19(2)28-30)20-9-11-22(12-10-20)32-23-13-15-29(16-14-23)21-6-4-7-21/h3,5,8-12,17,21,23H,4,6-7,13-16H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50350023
PNG
(CHEMBL1813065)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1
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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13n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50363324
PNG
(CHEMBL1945846)
Show SMILES CC1=NNC(=O)CC1c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H27N3O2/c1-14-19(13-20(24)22-21-14)15-5-7-17(8-6-15)25-18-9-11-23(12-10-18)16-3-2-4-16/h5-8,16,18-19H,2-4,9-13H2,1H3,(H,22,24)
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13n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50363321
PNG
(CHEMBL1945852)
Show SMILES O=c1cc(cn[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)nc1
Show InChI InChI=1S/C18H22N4O2/c23-17-10-14(12-20-21-17)13-4-5-18(19-11-13)24-16-6-8-22(9-7-16)15-2-1-3-15/h4-5,10-12,15-16H,1-3,6-9H2,(H,21,23)
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14n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50363324
PNG
(CHEMBL1945846)
Show SMILES CC1=NNC(=O)CC1c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H27N3O2/c1-14-19(13-20(24)22-21-14)15-5-7-17(8-6-15)25-18-9-11-23(12-10-18)16-3-2-4-16/h5-8,16,18-19H,2-4,9-13H2,1H3,(H,22,24)
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15n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50350023
PNG
(CHEMBL1813065)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1
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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15n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50363318
PNG
(CHEMBL1945850)
Show SMILES Cc1cccnc1-n1nc(C)c(cc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C26H30N4O2/c1-18-5-4-14-27-26(18)30-25(31)17-24(19(2)28-30)20-8-10-22(11-9-20)32-23-12-15-29(16-13-23)21-6-3-7-21/h4-5,8-11,14,17,21,23H,3,6-7,12-13,15-16H2,1-2H3
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17n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50363321
PNG
(CHEMBL1945852)
Show SMILES O=c1cc(cn[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)nc1
Show InChI InChI=1S/C18H22N4O2/c23-17-10-14(12-20-21-17)13-4-5-18(19-11-13)24-16-6-8-22(9-7-16)15-2-1-3-15/h4-5,10-12,15-16H,1-3,6-9H2,(H,21,23)
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20n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50363317
PNG
(CHEMBL1945848)
Show SMILES Cc1nn(-c2ccccn2)c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C25H28N4O2/c1-18-23(17-25(30)29(27-18)24-7-2-3-14-26-24)19-8-10-21(11-9-19)31-22-12-15-28(16-13-22)20-5-4-6-20/h2-3,7-11,14,17,20,22H,4-6,12-13,15-16H2,1H3
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n/an/a 340n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M2 receptor


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50363320
PNG
(CHEMBL1945844)
Show SMILES O=c1cc(cn[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C19H23N3O2/c23-19-12-15(13-20-21-19)14-4-6-17(7-5-14)24-18-8-10-22(11-9-18)16-2-1-3-16/h4-7,12-13,16,18H,1-3,8-11H2,(H,21,23)
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n/an/a 2.00E+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: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50363316
PNG
(CHEMBL1945845)
Show SMILES Cc1n[nH]c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c1-14-19(13-20(24)22-21-14)15-5-7-17(8-6-15)25-18-9-11-23(12-10-18)16-3-2-4-16/h5-8,13,16,18H,2-4,9-12H2,1H3,(H,22,24)
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n/an/a 7.00E+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: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50363318
PNG
(CHEMBL1945850)
Show SMILES Cc1cccnc1-n1nc(C)c(cc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C26H30N4O2/c1-18-5-4-14-27-26(18)30-25(31)17-24(19(2)28-30)20-8-10-22(11-9-20)32-23-12-15-29(16-13-23)21-6-3-7-21/h4-5,8-11,14,17,21,23H,3,6-7,12-13,15-16H2,1-2H3
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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 human ERG by patch clamp assay


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50363319
PNG
(CHEMBL1945849)
Show SMILES Cc1cccc(n1)-n1nc(C)c(cc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C26H30N4O2/c1-18-5-3-8-25(27-18)30-26(31)17-24(19(2)28-30)20-9-11-22(12-10-20)32-23-13-15-29(16-14-23)21-6-4-7-21/h3,5,8-12,17,21,23H,4,6-7,13-16H2,1-2H3
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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 human ERG by patch clamp assay


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50363317
PNG
(CHEMBL1945848)
Show SMILES Cc1nn(-c2ccccn2)c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C25H28N4O2/c1-18-23(17-25(30)29(27-18)24-7-2-3-14-26-24)19-8-10-21(11-9-19)31-22-12-15-28(16-13-22)20-5-4-6-20/h2-3,7-11,14,17,20,22H,4-6,12-13,15-16H2,1H3
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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 human ERG by patch clamp assay


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50363316
PNG
(CHEMBL1945845)
Show SMILES Cc1n[nH]c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c1-14-19(13-20(24)22-21-14)15-5-7-17(8-6-15)25-18-9-11-23(12-10-18)16-3-2-4-16/h5-8,13,16,18H,2-4,9-12H2,1H3,(H,22,24)
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n/an/an/an/a 1.10n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 1073-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%