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Compile Data Set for Download or QSAR

Found 434 hits of ec50 data for polymerid = 2288,2294,50001382   
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


(Homo sapiens (Human))
BDBM50127606
PNG
(2-(1H-Imidazol-4-yl)-cyclopropylamine | CHEMBL2940...)
Show SMILES N[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5+/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127603
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6+/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127602
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6-/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127609
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6+/m0/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50150945
PNG
(CHEBI:81390 | Immepip)
Show SMILES C(C1CCNCC1)c1c[nH]cn1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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n/an/an/an/a 0.0398n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
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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n/an/an/an/a 0.0501n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50405121
PNG
(CHEBI:64151 | CHEMBL1490875)
Show SMILES Br.Br.NC(=N)SCCc1c[nH]cn1
Show InChI InChI=1S/C17H17N6O12PS/c24-12-10(4-34-36(31,32)33)35-16(13(12)25)21-6-18-11-14(21)19-17(20-15(11)26)37-5-7-1-8(22(27)28)3-9(2-7)23(29)30/h1-3,6,10,12-13,16,24-25H,4-5H2,(H,19,20,26)(H2,31,32,33)/t10-,12-,13-,16?/m0/s1
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n/an/an/an/a 0.0800n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...


Eur J Med Chem 152: 148-159 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.020
BindingDB Entry DOI: 10.7270/Q2QC063R
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50405121
PNG
(CHEBI:64151 | CHEMBL1490875)
Show SMILES Br.Br.NC(=N)SCCc1c[nH]cn1
Show InChI InChI=1S/C17H17N6O12PS/c24-12-10(4-34-36(31,32)33)35-16(13(12)25)21-6-18-11-14(21)19-17(20-15(11)26)37-5-7-1-8(22(27)28)3-9(2-7)23(29)30/h1-3,6,10,12-13,16,24-25H,4-5H2,(H,19,20,26)(H2,31,32,33)/t10-,12-,13-,16?/m0/s1
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n/an/an/an/a 0.0800n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...


Eur J Med Chem 152: 148-159 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.020
BindingDB Entry DOI: 10.7270/Q2QC063R
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50525810
PNG
(CHEMBL4451680)
Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCCC4)cc3CC[C@@]21[H] |r|
Show InChI InChI=1S/C29H44N2O/c1-29-14-13-25-24-10-8-23(32-20-6-17-30-15-2-3-16-30)21-22(24)7-9-26(25)27(29)11-12-28(29)31-18-4-5-19-31/h8,10,21,25-28H,2-7,9,11-20H2,1H3/t25-,26-,27+,28+,29+/m1/s1
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n/an/an/an/a 0.100n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50514105
PNG
(CHEMBL4441731)
Show SMILES O.OC(=O)\C=C\C(O)=O.CCCNC1CN(C1)c1ccnc(N)n1
Show InChI InChI=1S/C10H17N5/c1-2-4-12-8-6-15(7-8)9-3-5-13-10(11)14-9/h3,5,8,12H,2,4,6-7H2,1H3,(H2,11,13,14)
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n/an/an/an/a 0.100n/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at mouse H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...


J Med Chem 62: 10848-10866 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01462
BindingDB Entry DOI: 10.7270/Q2M61PKJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50405117
PNG
(CHEMBL4170869)
Show SMILES COc1ccc(cc1)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC1CCCCC1)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C19H31N4O8P/c1-2-3-4-5-6-7-8-9-13-21-17-14(18(26)22-13)20-11-23(17)19-16(25)15(24)12(31-19)10-30-32(27,28)29/h11-12,15-16,19,24-25H,2-10H2,1H3,(H,21,22,26)(H2,27,28,29)/t12-,15-,16-,19?/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...


Eur J Med Chem 152: 148-159 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.020
BindingDB Entry DOI: 10.7270/Q2QC063R
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50405122
PNG
(CHEMBL4159570)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC(C)(C)C)c1ccccc1
Show InChI InChI=1S/C17H27N4O8P/c1-2-3-4-5-6-7-11-19-15-12(16(24)20-11)18-9-21(15)17-14(23)13(22)10(29-17)8-28-30(25,26)27/h9-10,13-14,17,22-23H,2-8H2,1H3,(H,19,20,24)(H2,25,26,27)/t10-,13-,14-,17?/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...


Eur J Med Chem 152: 148-159 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.020
BindingDB Entry DOI: 10.7270/Q2QC063R
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50405117
PNG
(CHEMBL4170869)
Show SMILES COc1ccc(cc1)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC1CCCCC1)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C19H31N4O8P/c1-2-3-4-5-6-7-8-9-13-21-17-14(18(26)22-13)20-11-23(17)19-16(25)15(24)12(31-19)10-30-32(27,28)29/h11-12,15-16,19,24-25H,2-10H2,1H3,(H,21,22,26)(H2,27,28,29)/t12-,15-,16-,19?/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...


Eur J Med Chem 152: 148-159 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.020
BindingDB Entry DOI: 10.7270/Q2QC063R
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50405122
PNG
(CHEMBL4159570)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC(C)(C)C)c1ccccc1
Show InChI InChI=1S/C17H27N4O8P/c1-2-3-4-5-6-7-11-19-15-12(16(24)20-11)18-9-21(15)17-14(23)13(22)10(29-17)8-28-30(25,26)27/h9-10,13-14,17,22-23H,2-8H2,1H3,(H,19,20,24)(H2,25,26,27)/t10-,13-,14-,17?/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...


Eur J Med Chem 152: 148-159 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.020
BindingDB Entry DOI: 10.7270/Q2QC063R
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM81542
PNG
(Beta-Methylhistamine | CAS_565544 | NSC_565544)
Show SMILES CC(CN)c1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-5(2-7)6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)
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n/an/an/an/a 0.123n/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Inhibition of the forskolin-stimulated cAMP production in SK-N-MC cells expressing human Histamine H3 receptor


J Med Chem 46: 3162-5 (2003)


Article DOI: 10.1021/jm0300025
BindingDB Entry DOI: 10.7270/Q24B343F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50483134
PNG
(CHEBI:64156 | Imetit)
Show SMILES NC(=N)SCCc1c[nH]cn1
Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
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n/an/an/an/a 0.126n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50150945
PNG
(CHEBI:81390 | Immepip)
Show SMILES C(C1CCNCC1)c1c[nH]cn1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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n/an/an/an/a 0.126n/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of cAMP-stimulated beta-galactosidase transcription in SK-N-MC cells expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50150945
PNG
(CHEBI:81390 | Immepip)
Show SMILES C(C1CCNCC1)c1c[nH]cn1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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n/an/an/an/a 0.132n/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibitory activity determined by the inhibition of cAMP- stimulated beta-galactosidase transcription in SK-N-MC cells expressing the human Histamine...


J Med Chem 46: 5445-57 (2003)


Article DOI: 10.1021/jm030905y
BindingDB Entry DOI: 10.7270/Q2FN18X0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22910
PNG
(4-(1H-imidazol-5-ylmethyl)pyridine | Immethridine)
Show SMILES C(c1cnc[nH]1)c1ccncc1
Show InChI InChI=1S/C9H9N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h1-4,6-7H,5H2,(H,11,12)
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n/an/an/an/a 0.158n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50212733
PNG
(CHEMBL425994 | N-(2-((dimethylamino)methyl)-4-(3-(...)
Show SMILES CN(C)Cc1cc(OCCCN2CCCCC2)ccc1Nc1ncnc2ccccc12
Show InChI InChI=1S/C25H33N5O/c1-29(2)18-20-17-21(31-16-8-15-30-13-6-3-7-14-30)11-12-23(20)28-25-22-9-4-5-10-24(22)26-19-27-25/h4-5,9-12,17,19H,3,6-8,13-16,18H2,1-2H3,(H,26,27,28)
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n/an/an/an/a 0.200n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor by GTP gammaS assay


Bioorg Med Chem Lett 17: 3670-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.056
BindingDB Entry DOI: 10.7270/Q2N879GX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
CHEMBL5279080
PNG
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n/an/an/an/a 0.200n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50321823
PNG
(4-((1H-Imidazol-4-yl)methyl)-1-(3-(trifluoromethyl...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C16H18F3N3/c17-16(18,19)13-2-1-3-15(9-13)22-6-4-12(5-7-22)8-14-10-20-11-21-14/h1-3,9-12H,4-8H2,(H,20,21)
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n/an/an/an/a 0.210n/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H3 receptor expressed in CHO-K1 cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintil...


Bioorg Med Chem 18: 5441-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.052
BindingDB Entry DOI: 10.7270/Q2C82B88
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50408756
PNG
(CHEMBL2145444)
Show SMILES CC(C)CCOCCCc1cnc[nH]1
Show InChI InChI=1S/C11H20N2O/c1-10(2)5-7-14-6-3-4-11-8-12-9-13-11/h8-10H,3-7H2,1-2H3,(H,12,13)
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n/an/an/an/a 0.220n/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro intrinsic activity against histamine H3 receptor from synaptosomes of rat cerebral cortex


J Med Chem 42: 4269-74 (1999)


BindingDB Entry DOI: 10.7270/Q2B85799
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50408755
PNG
(CHEMBL2145442)
Show SMILES CC(C)CCCOCCCc1cnc[nH]1
Show InChI InChI=1S/C12H22N2O/c1-11(2)5-3-7-15-8-4-6-12-9-13-10-14-12/h9-11H,3-8H2,1-2H3,(H,13,14)
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n/an/an/an/a 0.25n/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro intrinsic activity against histamine H3 receptor from synaptosomes of rat cerebral cortex


J Med Chem 42: 4269-74 (1999)


BindingDB Entry DOI: 10.7270/Q2B85799
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
CHEMBL5283960
PNG
PDB

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n/an/an/an/a 0.300n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50405116
PNG
(CHEMBL4177416)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC(C)(C)C)c1cc(F)cc(F)c1
Show InChI InChI=1S/C17H18N5O10PS/c23-12-10(5-31-33(28,29)30)32-16(13(12)24)21-7-18-11-14(21)19-17(20-15(11)25)34-6-8-1-3-9(4-2-8)22(26)27/h1-4,7,10,12-13,16,23-24H,5-6H2,(H,19,20,25)(H2,28,29,30)/t10-,12-,13-,16?/m0/s1
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n/an/an/an/a 0.300n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...


Eur J Med Chem 152: 148-159 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.020
BindingDB Entry DOI: 10.7270/Q2QC063R
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50405032
PNG
(CHEMBL4159472)
Show SMILES [H][C@@]12CC(=O)C=C[C@]11N([C@@H](C(=O)N2)c2ccc(cc2)[N+]([O-])=O)C(=O)C=C1c1ccccc1 |r,c:5,27|
Show InChI InChI=1S/C17H21N3O6/c1-18-6-8-19(9-7-18)5-2-10-25-12-3-4-13-14(11-12)26-17(22)15(16(13)21)20(23)24/h3-4,11,21H,2,5-10H2,1H3
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n/an/an/an/a 0.300n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...


Eur J Med Chem 152: 148-159 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.020
BindingDB Entry DOI: 10.7270/Q2QC063R
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50405116
PNG
(CHEMBL4177416)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC(C)(C)C)c1cc(F)cc(F)c1
Show InChI InChI=1S/C17H18N5O10PS/c23-12-10(5-31-33(28,29)30)32-16(13(12)24)21-7-18-11-14(21)19-17(20-15(11)25)34-6-8-1-3-9(4-2-8)22(26)27/h1-4,7,10,12-13,16,23-24H,5-6H2,(H,19,20,25)(H2,28,29,30)/t10-,12-,13-,16?/m0/s1
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n/an/an/an/a 0.300n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...


Eur J Med Chem 152: 148-159 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.020
BindingDB Entry DOI: 10.7270/Q2QC063R
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50405032
PNG
(CHEMBL4159472)
Show SMILES [H][C@@]12CC(=O)C=C[C@]11N([C@@H](C(=O)N2)c2ccc(cc2)[N+]([O-])=O)C(=O)C=C1c1ccccc1 |r,c:5,27|
Show InChI InChI=1S/C17H21N3O6/c1-18-6-8-19(9-7-18)5-2-10-25-12-3-4-13-14(11-12)26-17(22)15(16(13)21)20(23)24/h3-4,11,21H,2,5-10H2,1H3
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n/an/an/an/a 0.300n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...


Eur J Med Chem 152: 148-159 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.020
BindingDB Entry DOI: 10.7270/Q2QC063R
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50514105
PNG
(CHEMBL4441731)
Show SMILES O.OC(=O)\C=C\C(O)=O.CCCNC1CN(C1)c1ccnc(N)n1
Show InChI InChI=1S/C10H17N5/c1-2-4-12-8-6-15(7-8)9-3-5-13-10(11)14-9/h3,5,8,12H,2,4,6-7H2,1H3,(H2,11,13,14)
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n/an/an/an/a 0.316n/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...


J Med Chem 62: 10848-10866 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01462
BindingDB Entry DOI: 10.7270/Q2M61PKJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50215536
PNG
((R)-Alpha-Methylhistamine | CHEBI:73337 | CHEMBL26...)
Show SMILES C[C@@H](N)Cc1c[nH]cn1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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n/an/an/an/a 0.316n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475340
PNG
(Methimepip)
Show SMILES CN1CCC(Cc2c[nH]cn2)CC1
Show InChI InChI=1S/C10H17N3/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10/h7-9H,2-6H2,1H3,(H,11,12)
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n/an/an/an/a 0.316n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475340
PNG
(Methimepip)
Show SMILES CN1CCC(Cc2c[nH]cn2)CC1
Show InChI InChI=1S/C10H17N3/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10/h7-9H,2-6H2,1H3,(H,11,12)
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n/an/an/an/a 0.316n/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of cAMP-stimulated beta-galactosidase transcription in SK-N-MC cells expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50474424
PNG
(CHEMBL153051)
Show SMILES [H][C@@]1(Cc2c[nH]cn2)CCNC1
Show InChI InChI=1S/C8H13N3/c1-2-9-4-7(1)3-8-5-10-6-11-8/h5-7,9H,1-4H2,(H,10,11)/t7-/m0/s1
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n/an/an/an/a 0.389n/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibitory activity determined by the inhibition of cAMP- stimulated beta-galactosidase transcription in SK-N-MC cells expressing the human Histamine...


J Med Chem 46: 5445-57 (2003)


Article DOI: 10.1021/jm030905y
BindingDB Entry DOI: 10.7270/Q2FN18X0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22530
PNG
(N(alpha)-Methylhistamine | N-alpha-methylhistamine...)
Show SMILES CNCCc1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)
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n/an/an/an/a 0.398n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50483133
PNG
(Clobenprobit)
Show SMILES Clc1ccc(CNC(=N)SCCCCc2c[nH]cn2)cc1
Show InChI InChI=1S/C15H19ClN4S/c16-13-6-4-12(5-7-13)9-19-15(17)21-8-2-1-3-14-10-18-11-20-14/h4-7,10-11H,1-3,8-9H2,(H2,17,19)(H,18,20)
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n/an/an/an/a 0.398n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
CHEMBL5270265
PNG
PDB

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n/an/an/an/a 0.400n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50483132
PNG
(CHEMBL281576)
Show SMILES NC(=N)SCCCc1c[nH]cn1
Show InChI InChI=1S/C7H12N4S/c8-7(9)12-3-1-2-6-4-10-5-11-6/h4-5H,1-3H2,(H3,8,9)(H,10,11)
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n/an/an/an/a 0.501n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50118156
PNG
(4-[3-(3,3-Dimethyl-butoxy)-propyl]-1H-imidazole | ...)
Show SMILES CC(C)(C)CCOCCCc1cnc[nH]1
Show InChI InChI=1S/C12H22N2O/c1-12(2,3)6-8-15-7-4-5-11-9-13-10-14-11/h9-10H,4-8H2,1-3H3,(H,13,14)
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n/an/an/an/a 0.550n/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro intrinsic activity against histamine H3 receptor from synaptosomes of rat cerebral cortex


J Med Chem 42: 4269-74 (1999)


BindingDB Entry DOI: 10.7270/Q2B85799
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50224191
PNG
((R)-2-(1-(6-ethoxypyridazin-3-yl)-5-methyl-1H-pyra...)
Show SMILES CCOc1ccc(nn1)-n1ncc(c1C)-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
Show InChI InChI=1S/C26H30N6O/c1-4-33-26-12-11-25(29-30-26)32-19(3)22(17-27-32)24-10-8-21-16-20(7-9-23(21)28-24)13-15-31-14-5-6-18(31)2/h7-12,16-18H,4-6,13-15H2,1-3H3/t18-/m1/s1
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n/an/an/an/a 0.590n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in HEK239 cells assessed as reduction of basal [35S]GTPgammaS binding


J Med Chem 50: 5439-48 (2007)


Article DOI: 10.1021/jm0705051
BindingDB Entry DOI: 10.7270/Q25M65G0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50079575
PNG
(CHEMBL3417586)
Show SMILES [H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|
Show InChI InChI=1S/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+/m1/s1
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n/an/an/an/a 0.600n/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human H3R expressed in CHO cells assessed as inhibition of RAMH-induced [35S]GTPgammaS binding relative to control


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


(Homo sapiens (Human))
CHEMBL5274183
PNG
PDB

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n/an/an/an/a 0.600n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
CHEMBL5288889
PNG
PDB

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n/an/an/an/a 0.600n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
CHEMBL5285270
PNG
PDB

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n/an/an/an/a 0.600n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50170164
PNG
(Imbutamine)
Show SMILES NCCCCc1c[nH]cn1
Show InChI InChI=1S/C7H13N3/c8-4-2-1-3-7-5-9-6-10-7/h5-6H,1-4,8H2,(H,9,10)
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n/an/an/an/a 0.631n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50514107
PNG
(CHEMBL4535316)
Show SMILES OC(=O)\C=C\C(O)=O.CCNC1CN(C1)c1ccnc(N)n1
Show InChI InChI=1S/C9H15N5/c1-2-11-7-5-14(6-7)8-3-4-12-9(10)13-8/h3-4,7,11H,2,5-6H2,1H3,(H2,10,12,13)
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n/an/an/an/a 0.631n/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...


J Med Chem 62: 10848-10866 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01462
BindingDB Entry DOI: 10.7270/Q2M61PKJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22542
PNG
(4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...)
Show SMILES C(C1CCNCC1)c1cnc[nH]1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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n/an/an/an/a 0.670n/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H3 receptor expressed in CHO-K1 cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintil...


Bioorg Med Chem 18: 5441-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.052
BindingDB Entry DOI: 10.7270/Q2C82B88
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22542
PNG
(4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...)
Show SMILES C(C1CCNCC1)c1cnc[nH]1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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n/an/an/an/a 0.670n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50215536
PNG
((R)-Alpha-Methylhistamine | CHEBI:73337 | CHEMBL26...)
Show SMILES C[C@@H](N)Cc1c[nH]cn1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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n/an/an/an/a 0.676n/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibitory activity determined by the inhibition of cAMP- stimulated beta-galactosidase transcription in SK-N-MC cells expressing the human Histamine...


J Med Chem 46: 5445-57 (2003)


Article DOI: 10.1021/jm030905y
BindingDB Entry DOI: 10.7270/Q2FN18X0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(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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n/an/an/an/a 0.700n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of basal activity of human histamine H3 receptor expressed in CHO cells assessed as inhibition of RAHM-induced [35S]GTPgammaS binding afte...


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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