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Compile Data Set for Download or QSAR

Found 2012 hits of ki for UniProtKB: Q9QYN8   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434335
PNG
(CHEMBL2386729 | US9181275, 3)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=C(C)N2Cc3ccccc3CN=C2S1 |r,c:18,31|
Show InChI InChI=1S/C26H31N3OS/c1-19-7-5-14-28(19)15-6-16-30-24-12-10-21(11-13-24)25-20(2)29-18-23-9-4-3-8-22(23)17-27-26(29)31-25/h3-4,8-13,19H,5-7,14-18H2,1-2H3/t19-/m1/s1
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US Patent
0.0200 -14.6n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...


US Patent US9181275 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PJP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434335
PNG
(CHEMBL2386729 | US9181275, 3)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=C(C)N2Cc3ccccc3CN=C2S1 |r,c:18,31|
Show InChI InChI=1S/C26H31N3OS/c1-19-7-5-14-28(19)15-6-16-30-24-12-10-21(11-13-24)25-20(2)29-18-23-9-4-3-8-22(23)17-27-26(29)31-25/h3-4,8-13,19H,5-7,14-18H2,1-2H3/t19-/m1/s1
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0.0200n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor in rat cortical membranes


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400105b
BindingDB Entry DOI: 10.7270/Q2S75HQP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434337
PNG
(CHEMBL2386727 | US9181275, 1)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCC[C@H]2CO)cc1 |r,t:1,4|
Show InChI InChI=1S/C26H31N3O2S/c1-19-25(32-26-27-16-21-6-2-3-7-22(21)17-29(19)26)20-9-11-24(12-10-20)31-15-5-14-28-13-4-8-23(28)18-30/h2-3,6-7,9-12,23,30H,4-5,8,13-18H2,1H3/t23-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor in rat cortical membranes


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400105b
BindingDB Entry DOI: 10.7270/Q2S75HQP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434337
PNG
(CHEMBL2386727 | US9181275, 1)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCC[C@H]2CO)cc1 |r,t:1,4|
Show InChI InChI=1S/C26H31N3O2S/c1-19-25(32-26-27-16-21-6-2-3-7-22(21)17-29(19)26)20-9-11-24(12-10-20)31-15-5-14-28-13-4-8-23(28)18-30/h2-3,6-7,9-12,23,30H,4-5,8,13-18H2,1H3/t23-/m0/s1
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US Patent
0.0320 -14.3n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...


US Patent US9181275 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PJP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434336
PNG
(CHEMBL2386728 | US9181275, 2)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCCCC2)cc1 |t:1,4|
Show InChI InChI=1S/C26H31N3OS/c1-20-25(31-26-27-18-22-8-3-4-9-23(22)19-29(20)26)21-10-12-24(13-11-21)30-17-7-16-28-14-5-2-6-15-28/h3-4,8-13H,2,5-7,14-19H2,1H3
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0.0500n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor in rat cortical membranes


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400105b
BindingDB Entry DOI: 10.7270/Q2S75HQP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434336
PNG
(CHEMBL2386728 | US9181275, 2)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCCCC2)cc1 |t:1,4|
Show InChI InChI=1S/C26H31N3OS/c1-20-25(31-26-27-18-22-8-3-4-9-23(22)19-29(20)26)21-10-12-24(13-11-21)30-17-7-16-28-14-5-2-6-15-28/h3-4,8-13H,2,5-7,14-19H2,1H3
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US Patent
0.0500 -14.0n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...


US Patent US9181275 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PJP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374104
PNG
(CHEMBL255962)
Show SMILES CC1CCCN1CCc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12 |w:17.18,28.30,1.0,t:16|
Show InChI InChI=1S/C27H34N2/c1-21-6-5-16-29(21)17-15-22-9-11-24(12-10-22)26-14-13-25-19-28(20-27(25)26)18-23-7-3-2-4-8-23/h2-4,7-12,14,21,25,27H,5-6,13,15-20H2,1H3
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0.0500n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374100
PNG
(CHEMBL270011)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(Cc3ccccc3)C[C@@H]12)N1CCCC1 |t:9|
Show InChI InChI=1S/C26H32N2/c1-2-6-22(7-3-1)18-28-19-24-12-13-25(26(24)20-28)23-10-8-21(9-11-23)14-17-27-15-4-5-16-27/h1-3,6-11,13,24,26H,4-5,12,14-20H2/t24-,26+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50232355
PNG
((3aR,6aR)-2-(cyclopropylmethyl)-6-(4-(2-(pyrrolidi...)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(CC3CC3)C[C@@H]12)N1CCCC1 |r,t:9|
Show InChI InChI=1S/C23H32N2/c1-2-13-24(12-1)14-11-18-5-7-20(8-6-18)22-10-9-21-16-25(17-23(21)22)15-19-3-4-19/h5-8,10,19,21,23H,1-4,9,11-17H2/t21-,23+/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane


Bioorg Med Chem Lett 18: 4133-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.086
BindingDB Entry DOI: 10.7270/Q2C82942
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50232355
PNG
((3aR,6aR)-2-(cyclopropylmethyl)-6-(4-(2-(pyrrolidi...)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(CC3CC3)C[C@@H]12)N1CCCC1 |r,t:9|
Show InChI InChI=1S/C23H32N2/c1-2-13-24(12-1)14-11-18-5-7-20(8-6-18)22-10-9-21-16-25(17-23(21)22)15-19-3-4-19/h5-8,10,19,21,23H,1-4,9,11-17H2/t21-,23+/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50319536
PNG
((R)-2-(4-methylpiperidin-1-yl)-6-(2-(2-methylpyrro...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)N1CCC(C)CC1 |r|
Show InChI InChI=1S/C22H31N3/c1-17-9-13-25(14-10-17)22-8-6-20-16-19(5-7-21(20)23-22)11-15-24-12-3-4-18(24)2/h5-8,16-18H,3-4,9-15H2,1-2H3/t18-/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from rat cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374110
PNG
(CHEMBL401954)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(C[C@@H]12)C1CCCC1)N1CCCC1 |t:9|
Show InChI InChI=1S/C24H34N2/c1-2-6-22(5-1)26-17-21-11-12-23(24(21)18-26)20-9-7-19(8-10-20)13-16-25-14-3-4-15-25/h7-10,12,21-22,24H,1-6,11,13-18H2/t21-,24+/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074627
PNG
(4-[2-(5,5-Dimethyl-hex-1-ynyl)-cyclopropyl]-1H-imi...)
Show SMILES CC(C)(C)CCC#CC1CC1c1cnc[nH]1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)
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0.0800n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing rat histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50232355
PNG
((3aR,6aR)-2-(cyclopropylmethyl)-6-(4-(2-(pyrrolidi...)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(CC3CC3)C[C@@H]12)N1CCCC1 |r,t:9|
Show InChI InChI=1S/C23H32N2/c1-2-13-24(12-1)14-11-18-5-7-20(8-6-18)22-10-9-21-16-25(17-23(21)22)15-19-3-4-19/h5-8,10,19,21,23H,1-4,9,11-17H2/t21-,23+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174619
PNG
(CHEMBL197747 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc(cn3)[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C20H22N4O3/c1-14-3-2-9-23(14)10-8-18-12-15-11-16(4-6-19(15)27-18)22-20-7-5-17(13-21-20)24(25)26/h4-7,11-14H,2-3,8-10H2,1H3,(H,21,22)/t14-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50098203
PNG
(1-{4-[2-(1H-Imidazol-4-yl)-ethylsulfanyl]-phenyl}-...)
Show SMILES CC(=O)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H14N2OS/c1-10(16)11-2-4-13(5-3-11)17-7-6-12-8-14-9-15-12/h2-5,8-9H,6-7H2,1H3,(H,14,15)
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0.110n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan from rat histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074629
PNG
(4-[(1R,2R)-2-(5,5-Dimethyl-hex-1-ynyl)-cyclopropyl...)
Show SMILES CC(C)(C)CCC#C[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Binding affinity at histamine H3 receptor in rat cortical membranes by [3H]-Nalpha-methylhistamine displacement.


J Med Chem 42: 903-9 (1999)


Article DOI: 10.1021/jm980310g
BindingDB Entry DOI: 10.7270/Q2ST7P1D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074629
PNG
(4-[(1R,2R)-2-(5,5-Dimethyl-hex-1-ynyl)-cyclopropyl...)
Show SMILES CC(C)(C)CCC#C[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Histamine H3 receptor for K+ evoked depolarization-induced release of [3H]-histamine from synaptosomes of rat ce...


Bioorg Med Chem Lett 10: 2379-82 (2001)


BindingDB Entry DOI: 10.7270/Q28G8JZ4
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50222968
PNG
(Cipralisant | GT-2331)
Show SMILES CC(C)(C)CCC#C[C@@H]1C[C@H]1c1c[nH]cn1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
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0.126n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Binding affinity of compound against Histamine H3 receptor


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472544
PNG
(Iodoproxyfan)
Show SMILES Ic1ccc(COCCCc2c[nH]cn2)cc1
Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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0.126n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472544
PNG
(Iodoproxyfan)
Show SMILES Ic1ccc(COCCCc2c[nH]cn2)cc1
Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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0.126n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50444496
PNG
(CHEMBL3092650)
Show SMILES O=C1CCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1
Show InChI InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2
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0.148n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]-R-alpha-ethylhistamine from rat histamine H3 receptor expressed in HEK293 cells after 45 mins by liquid scintillation spectromet...


Bioorg Med Chem Lett 23: 6890-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.090
BindingDB Entry DOI: 10.7270/Q2PZ5B83
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50214615
PNG
(CHEBI:64177 | Clobenpropit)
Show SMILES Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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0.158n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GF0WP5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374102
PNG
(CHEMBL402297)
Show SMILES OC[C@@H]1CCCN1CCc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12 |w:18.19,29.31,t:17|
Show InChI InChI=1S/C27H34N2O/c30-20-25-7-4-15-29(25)16-14-21-8-10-23(11-9-21)26-13-12-24-18-28(19-27(24)26)17-22-5-2-1-3-6-22/h1-3,5-6,8-11,13,24-25,27,30H,4,7,12,14-20H2/t24?,25-,27?/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50361235
PNG
(CHEMBL1934525)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC1CCOCC1 |r|
Show InChI InChI=1S/C25H33NO3S/c1-20-3-2-15-26(20)16-12-21-4-6-23(7-5-21)24-8-10-25(11-9-24)30(27,28)19-22-13-17-29-18-14-22/h4-11,20,22H,2-3,12-19H2,1H3/t20-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes


Bioorg Med Chem Lett 22: 71-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.075
BindingDB Entry DOI: 10.7270/Q27M08C7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22541
PNG
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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0.180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Histamine H3 receptor affinity of compound was determined in rat cortical membranes using the H3 selective agonist ligand, [3H]N-alpha-methylhistamin...


Bioorg Med Chem Lett 7: 3017-3022 (1997)


Article DOI: 10.1016/S0960-894X(97)10137-8
BindingDB Entry DOI: 10.7270/Q2280843
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074629
PNG
(4-[(1R,2R)-2-(5,5-Dimethyl-hex-1-ynyl)-cyclopropyl...)
Show SMILES CC(C)(C)CCC#C[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to rat cortical histamine H3 receptor


J Med Chem 54: 26-53 (2011)


Article DOI: 10.1021/jm100064d
BindingDB Entry DOI: 10.7270/Q2VQ33RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22541
PNG
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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0.180n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50099623
PNG
(4-[2-(4,4-Dimethyl-pent-1-ynyl)-cyclopropyl]-1H-im...)
Show SMILES CC(C)(C)CC#CC1CC1c1cnc[nH]1
Show InChI InChI=1S/C13H18N2/c1-13(2,3)6-4-5-10-7-11(10)12-8-14-9-15-12/h8-11H,6-7H2,1-3H3,(H,14,15)
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0.180n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex


J Med Chem 44: 1666-74 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2QP8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352357
PNG
(CHEMBL558655)
Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C25H29N3O2S/c1-20-3-2-17-28(20)18-14-21-4-6-23(7-5-21)24-8-10-25(11-9-24)31(29,30)27-19-22-12-15-26-16-13-22/h4-13,15-16,20,27H,2-3,14,17-19H2,1H3
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0.182n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane


J Med Chem 52: 5603-11 (2009)


Article DOI: 10.1021/jm900857n
BindingDB Entry DOI: 10.7270/Q2KW5G2F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50222968
PNG
(Cipralisant | GT-2331)
Show SMILES CC(C)(C)CCC#C[C@@H]1C[C@H]1c1c[nH]cn1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
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0.195n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50444491
PNG
(CHEMBL3092823)
Show SMILES O=C1CCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1
Show InChI InChI=1S/C22H25N3O2/c26-22-10-13-25(22)19-5-7-21(23-15-19)27-20-6-4-16-8-11-24(18-2-1-3-18)12-9-17(16)14-20/h4-7,14-15,18H,1-3,8-13H2
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...


Bioorg Med Chem Lett 23: 6890-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.090
BindingDB Entry DOI: 10.7270/Q2PZ5B83
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50361237
PNG
(CHEMBL1934527)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC1CCCCO1 |r|
Show InChI InChI=1S/C25H33NO3S/c1-20-5-4-16-26(20)17-15-21-7-9-22(10-8-21)23-11-13-25(14-12-23)30(27,28)19-24-6-2-3-18-29-24/h7-14,20,24H,2-6,15-19H2,1H3/t20-,24?/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes


Bioorg Med Chem Lett 22: 71-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.075
BindingDB Entry DOI: 10.7270/Q27M08C7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50268293
PNG
((5-(1-cyclobutylpiperidin-4-yloxy)-1-(2,2,2-triflu...)
Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CCC3)ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H30F3N3O3/c25-24(26,27)16-30-21-5-4-20(33-19-6-8-28(9-7-19)18-2-1-3-18)14-17(21)15-22(30)23(31)29-10-12-32-13-11-29/h4-5,14-15,18-19H,1-3,6-13,16H2
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0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50319552
PNG
((R)-6-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc2ncnn2c1C |r|
Show InChI InChI=1S/C21H23N5S/c1-14-4-3-10-25(14)11-9-16-5-7-18-17(12-16)6-8-19(24-18)20-15(2)26-21(27-20)22-13-23-26/h5-8,12-14H,3-4,9-11H2,1-2H3/t14-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from rat cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091385
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-ethano...)
Show SMILES CC(N=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H17N3O2/c1-11(17-18)12-4-6-14(7-5-12)19-8-2-3-13-9-15-10-16-13/h4-7,9-11H,2-3,8H2,1H3,(H,15,16)
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0.260n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174627
PNG
(CHEMBL199245 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3cncnc3)ccc2o1
Show InChI InChI=1S/C19H22N4O/c1-14-3-2-7-23(14)8-6-18-10-15-9-16(4-5-19(15)24-18)22-17-11-20-13-21-12-17/h4-5,9-14,22H,2-3,6-8H2,1H3/t14-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374109
PNG
(CHEMBL255840)
Show SMILES CC(C)N1C[C@@H]2CC=C([C@@H]2C1)c1ccc(CCN2CCCC2)cc1 |c:7|
Show InChI InChI=1S/C22H32N2/c1-17(2)24-15-20-9-10-21(22(20)16-24)19-7-5-18(6-8-19)11-14-23-12-3-4-13-23/h5-8,10,17,20,22H,3-4,9,11-16H2,1-2H3/t20-,22+/m0/s1
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0.290n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352358
PNG
(CHEMBL558456)
Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C26H30N2O2S/c1-21-6-5-18-28(21)19-17-22-9-11-24(12-10-22)25-13-15-26(16-14-25)31(29,30)27-20-23-7-3-2-4-8-23/h2-4,7-16,21,27H,5-6,17-20H2,1H3
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0.295n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane


J Med Chem 52: 5603-11 (2009)


Article DOI: 10.1021/jm900857n
BindingDB Entry DOI: 10.7270/Q2KW5G2F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50268291
PNG
((1-(3,4-dichlorophenyl)-5-(1-isopropylpiperidin-4-...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H31Cl2F2N3O2/c1-18(2)33-11-7-21(8-12-33)37-22-4-6-25-19(15-22)16-26(27(36)34-13-9-28(31,32)10-14-34)35(25)20-3-5-23(29)24(30)17-20/h3-6,15-18,21H,7-14H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50243638
PNG
(1-((3aR,6aR)-6-(4-(2-((R)-2-methylpyrrolidin-1-yl)...)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)C1=CC[C@H]2CN(C[C@@H]12)C(=O)Cc1ccccc1 |r,t:16|
Show InChI InChI=1S/C28H34N2O/c1-21-6-5-16-29(21)17-15-22-9-11-24(12-10-22)26-14-13-25-19-30(20-27(25)26)28(31)18-23-7-3-2-4-8-23/h2-4,7-12,14,21,25,27H,5-6,13,15-20H2,1H3/t21-,25+,27-/m1/s1
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PubMed
0.300n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane


Bioorg Med Chem Lett 18: 4133-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.086
BindingDB Entry DOI: 10.7270/Q2C82942
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091373
PNG
(1-{2-Fluoro-4-[3-(1H-imidazol-4-yl)-propoxy]-pheny...)
Show SMILES CC(N=O)c1ccc(OCCCc2cnc[nH]2)cc1F
Show InChI InChI=1S/C14H16FN3O2/c1-10(18-19)13-5-4-12(7-14(13)15)20-6-2-3-11-8-16-9-17-11/h4-5,7-10H,2-3,6H2,1H3,(H,16,17)
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PubMed
0.300n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22916
PNG
(5-{3-[(4-iodophenyl)methoxy]propyl}-1H-imidazole |...)
Show SMILES Ic1ccc(COCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Histamine H3 receptor affinity of compound was determined in rat cortical membranes using the H3 selective agonist ligand, [3H]N-alpha-methylhistamin...


Bioorg Med Chem Lett 7: 3017-3022 (1997)


Article DOI: 10.1016/S0960-894X(97)10137-8
BindingDB Entry DOI: 10.7270/Q2280843
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374095
PNG
(CHEMBL255752)
Show SMILES C(Cc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12)N1CCCC1 |w:11.12,22.23,t:9|
Show InChI InChI=1S/C26H32N2/c1-2-6-22(7-3-1)18-28-19-24-12-13-25(26(24)20-28)23-10-8-21(9-11-23)14-17-27-15-4-5-16-27/h1-3,6-11,13,24,26H,4-5,12,14-20H2
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0.300n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50319538
PNG
((R)-1-(4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quin...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)-n1ccc(=O)cc1 |r|
Show InChI InChI=1S/C27H27N3O/c1-20-3-2-15-29(20)16-12-21-4-10-27-23(19-21)7-11-26(28-27)22-5-8-24(9-6-22)30-17-13-25(31)14-18-30/h4-11,13-14,17-20H,2-3,12,15-16H2,1H3/t20-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from rat cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50319549
PNG
((R)-5-methyl-4-(6-(2-(2-methylpyrrolidin-1-yl)ethy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(C)onc1-c1ccccc1 |r|
Show InChI InChI=1S/C26H27N3O/c1-18-7-6-15-29(18)16-14-20-10-12-23-22(17-20)11-13-24(27-23)25-19(2)30-28-26(25)21-8-4-3-5-9-21/h3-5,8-13,17-18H,6-7,14-16H2,1-2H3/t18-/m1/s1
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0.310n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from rat cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM82519
PNG
(4-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicycl...)
Show SMILES [H]C12CCC([H])(CC(C1)NC(=O)c1cc(Cl)c(N)cc1OC)N2C
Show InChI InChI=1S/C16H22ClN3O2/c1-20-10-3-4-11(20)6-9(5-10)19-16(21)12-7-13(17)14(18)8-15(12)22-2/h7-11H,3-6,18H2,1-2H3,(H,19,21)
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0.316n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards rat histamine H3 receptor


Citation and Details

Article DOI: 10.1016/0960-894X(94)00453-M
BindingDB Entry DOI: 10.7270/Q2MP560G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434334
PNG
(CHEMBL2386730 | US9181275, 4)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCOCC2)cc1 |t:1,4|
Show InChI InChI=1S/C25H29N3O2S/c1-19-24(31-25-26-17-21-5-2-3-6-22(21)18-28(19)25)20-7-9-23(10-8-20)30-14-4-11-27-12-15-29-16-13-27/h2-3,5-10H,4,11-18H2,1H3
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0.320n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor in rat cortical membranes


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400105b
BindingDB Entry DOI: 10.7270/Q2S75HQP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434334
PNG
(CHEMBL2386730 | US9181275, 4)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCOCC2)cc1 |t:1,4|
Show InChI InChI=1S/C25H29N3O2S/c1-19-24(31-25-26-17-21-5-2-3-6-22(21)18-28(19)25)20-7-9-23(10-8-20)30-14-4-11-27-12-15-29-16-13-27/h2-3,5-10H,4,11-18H2,1H3
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US Patent
0.324 -12.9n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...


US Patent US9181275 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PJP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074627
PNG
(4-[2-(5,5-Dimethyl-hex-1-ynyl)-cyclopropyl]-1H-imi...)
Show SMILES CC(C)(C)CCC#CC1CC1c1cnc[nH]1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)
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0.330n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Binding affinity at histamine H3 receptor in rat cortical membranes by [3H]-Nalpha-methylhistamine displacement.


J Med Chem 42: 903-9 (1999)


Article DOI: 10.1021/jm980310g
BindingDB Entry DOI: 10.7270/Q2ST7P1D
More data for this
Ligand-Target Pair
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