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Compile Data Set for Download or QSAR

Found 494 hits with Last Name = 'gruner' and Initial = 'ja'   
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 |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 receptor (H3)


(Homo sapiens (Human))
BDBM50358567
PNG
(CHEMBL1923729)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
Show InChI InChI=1S/C20H26N2O2/c1-16-5-3-12-22(16)13-4-14-24-19-9-6-17(7-10-19)18-8-11-20(23)21(2)15-18/h6-11,15-16H,3-5,12-14H2,1-2H3/t16-/m1/s1
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0.700n/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 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50358577
PNG
(CHEMBL1923738)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn(C)c(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H28N2O2/c1-18-7-5-14-26(18)15-6-16-28-20-12-10-19(11-13-20)23-17-25(2)24(27)22-9-4-3-8-21(22)23/h3-4,8-13,17-18H,5-7,14-16H2,1-2H3/t18-/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 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
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 |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 receptor (H3)


(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 receptor (H3)


(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 receptor (H3)


(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 receptor (H3)


(Homo sapiens (Human))
BDBM50363325
PNG
(CHEMBL1945843)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1 |r|
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))
BDBM50358572
PNG
(CHEMBL1923733)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H28N2O2/c1-20-7-5-16-26(20)17-6-18-29-24-13-10-21(11-14-24)22-12-15-25(28)27(19-22)23-8-3-2-4-9-23/h2-4,8-15,19-20H,5-7,16-18H2,1H3/t20-/m1/s1
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1.80n/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 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50364972
PNG
(CHEMBL1950738)
Show SMILES Cn1nc(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)nc1
Show InChI InChI=1S/C19H24N4O2/c1-22-19(24)8-6-17(21-22)14-5-7-18(20-13-14)25-16-9-11-23(12-10-16)15-3-2-4-15/h5-8,13,15-16H,2-4,9-12H2,1H3
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1.80n/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: 1504-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.026
BindingDB Entry DOI: 10.7270/Q2W37WSF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50360899
PNG
(CHEMBL1935110)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C(C)C1 |r,t:18|
Show InChI InChI=1S/C19H27N3O2/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/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,21,23)/t14?,15-/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: 194-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.037
BindingDB Entry DOI: 10.7270/Q25Q4WJV
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 |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 receptor (H3)


(Homo sapiens (Human))
BDBM50364957
PNG
(CHEMBL1950643)
Show SMILES O=c1ccc(n[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C19H23N3O2/c23-19-9-8-18(20-21-19)14-4-6-16(7-5-14)24-17-10-12-22(13-11-17)15-2-1-3-15/h4-9,15,17H,1-3,10-13H2,(H,21,23)
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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: 1504-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.026
BindingDB Entry DOI: 10.7270/Q2W37WSF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50358574
PNG
(CHEMBL1923735)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C26H30N2O2/c1-21-7-5-16-27(21)17-6-18-30-25-13-10-23(11-14-25)24-12-15-26(29)28(20-24)19-22-8-3-2-4-9-22/h2-4,8-15,20-21H,5-7,16-19H2,1H3/t21-/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 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(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



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
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))
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
Histamine receptor (H3)


(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 receptor (H3)


(Homo sapiens (Human))
BDBM50360897
PNG
(CHEMBL1935108)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NN(Cc2ccccc2)C(=O)CC1 |r,t:18|
Show InChI InChI=1S/C25H31N3O2/c1-20-7-5-16-27(20)17-6-18-30-23-12-10-22(11-13-23)24-14-15-25(29)28(26-24)19-21-8-3-2-4-9-21/h2-4,8-13,20H,5-7,14-19H2,1H3/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: 194-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.037
BindingDB Entry DOI: 10.7270/Q25Q4WJV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(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 H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
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 |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


(Rattus norvegicus (rat))
BDBM50364957
PNG
(CHEMBL1950643)
Show SMILES O=c1ccc(n[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C19H23N3O2/c23-19-9-8-18(20-21-19)14-4-6-16(7-5-14)24-17-10-12-22(13-11-17)15-2-1-3-15/h4-9,15,17H,1-3,10-13H2,(H,21,23)
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2.20n/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: 1504-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.026
BindingDB Entry DOI: 10.7270/Q2W37WSF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50079579
PNG
(CHEMBL3417505)
Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11|
Show InChI InChI=1/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/s2
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2.30n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(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


(Rattus norvegicus (rat))
BDBM50358577
PNG
(CHEMBL1923738)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn(C)c(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H28N2O2/c1-18-7-5-14-26(18)15-6-16-28-20-12-10-19(11-13-20)23-17-25(2)24(27)22-9-4-3-8-21(22)23/h3-4,8-13,17-18H,5-7,14-16H2,1-2H3/t18-/m1/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 rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(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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2.40n/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: 1504-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.026
BindingDB Entry DOI: 10.7270/Q2W37WSF
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 |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
Histamine receptor (H3)


(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 receptor (H3)


(Homo sapiens (Human))
BDBM50364958
PNG
(CHEMBL1950743)
Show SMILES CC1(C)CC(=NNC1=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1 |c:4|
Show InChI InChI=1S/C21H29N3O2/c1-21(2)14-19(22-23-20(21)25)15-6-8-17(9-7-15)26-18-10-12-24(13-11-18)16-4-3-5-16/h6-9,16,18H,3-5,10-14H2,1-2H3,(H,23,25)
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2.70n/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: 1504-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.026
BindingDB Entry DOI: 10.7270/Q2W37WSF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(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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2.70n/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: 1504-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.026
BindingDB Entry DOI: 10.7270/Q2W37WSF
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 |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 receptor (H3)


(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
Histamine receptor (H3)


(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 histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 194-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.037
BindingDB Entry DOI: 10.7270/Q25Q4WJV
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 H3 receptor


(Rattus norvegicus (rat))
BDBM50358575
PNG
(CHEMBL1923736)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(C#N)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C21H25N3O2/c1-16-5-3-10-24(16)11-4-12-26-20-8-6-17(7-9-20)19-13-18(14-22)21(25)23(2)15-19/h6-9,13,15-16H,3-5,10-12H2,1-2H3/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 rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
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 receptor (H3)


(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 receptor (H3)


(Homo sapiens (Human))
BDBM50385246
PNG
(CHEMBL2037604)
Show SMILES C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r|
Show InChI InChI=1S/C19H25N3O2/c1-14(12-22-9-3-4-15(22)2)13-24-18-7-5-16(6-8-18)17-10-19(23)21-20-11-17/h5-8,10-11,14-15H,3-4,9,12-13H2,1-2H3,(H,21,23)/t14-,15+/m0/s1
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3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cells after 4 hrs by scintillation proximity assay


Bioorg Med Chem 20: 3880-6 (2012)


Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64
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 |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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3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cells after 4 hrs by scintillation proximity assay


Bioorg Med Chem 20: 3880-6 (2012)


Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(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 receptor (H3)


(Homo sapiens (Human))
BDBM50079576
PNG
(CHEMBL3417585)
Show SMILES [H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|
Show InChI InChI=1/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/s2
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3.10n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
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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3.10n/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: 1504-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.026
BindingDB Entry DOI: 10.7270/Q2W37WSF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(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 receptor (H3)


(Homo sapiens (Human))
BDBM50360889
PNG
(CHEMBL1935100)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)CC1 |r,t:18|
Show InChI InChI=1S/C18H25N3O2/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/h5-8,14H,2-4,9-13H2,1H3,(H,20,22)/t14-/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: 194-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.037
BindingDB Entry DOI: 10.7270/Q25Q4WJV
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 |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 receptor (H3)


(Homo sapiens (Human))
BDBM50358569
PNG
(CHEMBL1923730)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccn(C)c(=O)c1 |r|
Show InChI InChI=1S/C20H26N2O2/c1-16-5-3-11-22(16)12-4-14-24-19-8-6-17(7-9-19)18-10-13-21(2)20(23)15-18/h6-10,13,15-16H,3-5,11-12,14H2,1-2H3/t16-/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 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
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 |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 receptor (H3)


(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 receptor (H3)


(Homo sapiens (Human))
BDBM50358575
PNG
(CHEMBL1923736)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(C#N)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C21H25N3O2/c1-16-5-3-10-24(16)11-4-12-26-20-8-6-17(7-9-20)19-13-18(14-22)21(25)23(2)15-19/h6-9,13,15-16H,3-5,10-12H2,1-2H3/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 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
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