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Compile Data Set for Download or QSAR

Found 39 hits of ic50 data for polymerid = 2294,49000667,50001382,5875   
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))
BDBM50325065
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperaz...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(N2CCCN(CC2)C2CCC2)c2nnnn2Cc2ccccc2)CC1
Show InChI InChI=1S/C30H42N8/c1-34-17-19-35(20-18-34)23-26-11-13-27(14-12-26)29(37-16-6-15-36(21-22-37)28-9-5-10-28)30-31-32-33-38(30)24-25-7-3-2-4-8-25/h2-4,7-8,11-14,28-29H,5-6,9-10,15-24H2,1H3
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n/an/a 0.400n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)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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n/an/a 1n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50071491
PNG
(4-(1H-Imidazol-4-yl)-butyramidine | CHEMBL72156 | ...)
Show SMILES NC(=N)CCCc1cnc[nH]1
Show InChI InChI=1S/C7H12N4/c8-7(9)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/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Histamine H3 receptor agonist activity was assessed by the inhibition of the electrically evoked twitch response of the guinea-pig ileum.


Bioorg Med Chem Lett 2: 77-78 (1992)


Article DOI: 10.1016/S0960-894X(00)80659-9
BindingDB Entry DOI: 10.7270/Q2222TN4
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1
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/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat histamine H3 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237870
PNG
(2-(1,3-bis(2-((S)-2-methylpyrrolidin-1-yl)ethyl)im...)
Show SMILES C[C@H]1CCCN1CCN1CCN(CCN2CCC[C@@H]2C)C1=C(C#N)C#N
Show InChI InChI=1S/C20H32N6/c1-17-5-3-7-23(17)9-11-25-13-14-26(20(25)19(15-21)16-22)12-10-24-8-4-6-18(24)2/h17-18H,3-14H2,1-2H3/t17-,18-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor in rat forebrain assessed as inhibition of [3H]histamine release from synaptosomes


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM22911
PNG
(2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...)
Show SMILES NC(=N)SCCc1cnc[nH]1
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/a 4.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Histamine H3 receptor agonist activity was assessed by the inhibition of the electrically evoked twitch response of the guinea-pig ileum.


Bioorg Med Chem Lett 2: 77-78 (1992)


Article DOI: 10.1016/S0960-894X(00)80659-9
BindingDB Entry DOI: 10.7270/Q2222TN4
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237869
PNG
((+/-)-2-(1,3-bis(2-(2-methylpyrrolidin-1-yl)ethyl)...)
Show SMILES CC1CCCN1CCN1CCN(CCN2CCCC2C)C1=C(C#N)C#N
Show InChI InChI=1S/C20H32N6/c1-17-5-3-7-23(17)9-11-25-13-14-26(20(25)19(15-21)16-22)12-10-24-8-4-6-18(24)2/h17-18H,3-14H2,1-2H3
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n/an/a 4.90n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor in rat forebrain assessed as inhibition of [3H]histamine release from synaptosomes


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325066
PNG
(1-((4-(1H-1,2,4-triazol-1-yl)phenyl)(1-benzyl-1H-t...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc(cc1)-n1cncn1
Show InChI InChI=1S/C26H31N9/c1-2-6-21(7-3-1)18-34-26(29-30-31-34)25(22-10-12-24(13-11-22)35-20-27-19-28-35)33-15-5-14-32(16-17-33)23-8-4-9-23/h1-3,6-7,10-13,19-20,23,25H,4-5,8-9,14-18H2
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n/an/a 9.20n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325063
PNG
(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-di...)
Show SMILES CNC(=O)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C26H33N7O/c1-27-26(34)22-13-11-21(12-14-22)24(32-16-6-15-31(17-18-32)23-9-5-10-23)25-28-29-30-33(25)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3,(H,27,34)
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n/an/a 12n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325064
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-(methylsulfonyl)p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C25H32N6O2S/c1-34(32,33)23-13-11-21(12-14-23)24(30-16-6-15-29(17-18-30)22-9-5-10-22)25-26-27-28-31(25)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,22,24H,5-6,9-10,15-19H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325067
PNG
(1-((4-((1H-1,2,4-triazol-1-yl)methyl)phenyl)(1-ben...)
Show SMILES C(c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1)n1cncn1
Show InChI InChI=1S/C27H33N9/c1-2-6-22(7-3-1)19-36-27(30-31-32-36)26(34-15-5-14-33(16-17-34)25-8-4-9-25)24-12-10-23(11-13-24)18-35-21-28-20-29-35/h1-3,6-7,10-13,20-21,25-26H,4-5,8-9,14-19H2
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n/an/a 17n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237878
PNG
(2-(1,3-bis(3-(piperidin-1-yl)propyl)imidazolidin-2...)
Show SMILES N#CC(C#N)=C1N(CCCN2CCCCC2)CCN1CCCN1CCCCC1
Show InChI InChI=1S/C22H36N6/c23-19-21(20-24)22-27(15-7-13-25-9-3-1-4-10-25)17-18-28(22)16-8-14-26-11-5-2-6-12-26/h1-18H2
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n/an/a 28n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor in rat forebrain assessed as inhibition of [3H]histamine release from synaptosomes


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50343843
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexenylethylcarba...)
Show SMILES O=C(NCCC1=CCCCC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C15H23N3O2/c19-15(17-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-16-12-18-14/h5,11-12H,1-4,6-10H2,(H,16,18)(H,17,19)
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n/an/a 29n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50343846
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexylbutylcarbama...)
Show SMILES O=C(NCCCCC1CCCCC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C17H29N3O2/c21-17(22-12-6-10-16-13-18-14-20-16)19-11-5-4-9-15-7-2-1-3-8-15/h13-15H,1-12H2,(H,18,20)(H,19,21)
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n/an/a 32n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50343841
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexylethylcarbama...)
Show SMILES O=C(NCCC1CCCCC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C15H25N3O2/c19-15(17-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-16-12-18-14/h11-13H,1-10H2,(H,16,18)(H,17,19)
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n/an/a 33n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50343847
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexylpropylcarbam...)
Show SMILES O=C(NCCCC1CCCCC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C16H27N3O2/c20-16(21-11-5-9-15-12-17-13-19-15)18-10-4-8-14-6-2-1-3-7-14/h12-14H,1-11H2,(H,17,19)(H,18,20)
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n/an/a 43n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50343844
PNG
((E)-3-(1H-Imidazol-4-yl)propylpent-2-enylcarbamate...)
Show SMILES CC\C=C\CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,15)(H,14,16)/b4-3+
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n/an/a 51n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50343845
PNG
((Z)-3-(1H-Imidazol-4-yl)propylpent-2-enylcarbamate...)
Show SMILES CC\C=C/CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,15)(H,14,16)/b4-3-
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n/an/a 52n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50343849
PNG
(3-(1H-Imidazol-4-yl)propylbut-3-enylcarbamate hydr...)
Show SMILES C=CCCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C11H17N3O2/c1-2-3-6-13-11(15)16-7-4-5-10-8-12-9-14-10/h2,8-9H,1,3-7H2,(H,12,14)(H,13,15)
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n/an/a 68n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328807
PNG
((2R,4S,5S)-1,2,5-trimethyl-4-(2-(naphthalen-1-yl)e...)
Show SMILES C[C@@H]1C[C@@](O)(CCc2cccc3ccccc23)[C@@H](C)CN1C
Show InChI InChI=1S/C20H27NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,11-14H2,1-3H3/t15-,16+,20-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328802
PNG
((2R,4S,5S)-1,2,5-trimethyl-4-(naphthalen-1-ylethyn...)
Show SMILES C[C@@H]1C[C@@](O)(C#Cc2cccc3ccccc23)[C@@H](C)CN1C
Show InChI InChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,13-14H2,1-3H3/t15-,16+,20-/m0/s1
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n/an/a 119n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328809
PNG
(CHEMBL1270165 | rac-1,2,5-trimethyl-4-(2-(naphthal...)
Show SMILES CC1CC(O)(CCc2ccc3ccccc3c2)C(C)CN1C
Show InChI InChI=1S/C20H27NO/c1-15-14-21(3)16(2)13-20(15,22)11-10-17-8-9-18-6-4-5-7-19(18)12-17/h4-9,12,15-16,22H,10-11,13-14H2,1-3H3
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n/an/a 122n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50343848
PNG
((E/Z)-3-(1H-Imidazol-4-yl)propylbut-2-enylcarbamat...)
Show SMILES CC=CCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C11H17N3O2/c1-2-3-6-13-11(15)16-7-4-5-10-8-12-9-14-10/h2-3,8-9H,4-7H2,1H3,(H,12,14)(H,13,15)
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n/an/a 128n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325068
PNG
(1-(benzofuran-5-yl(1-benzyl-1H-tetrazol-5-yl)methy...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc2occc2c1
Show InChI InChI=1S/C26H30N6O/c1-2-6-20(7-3-1)19-32-26(27-28-29-32)25(22-10-11-24-21(18-22)12-17-33-24)31-14-5-13-30(15-16-31)23-8-4-9-23/h1-3,6-7,10-12,17-18,23,25H,4-5,8-9,13-16,19H2
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n/an/a 138n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328801
PNG
(1,2,5-trimethyl-4-(naphthalen-1-ylethynyl)piperidi...)
Show SMILES CC1CC(O)(C#Cc2cccc3ccccc23)C(C)CN1C
Show InChI InChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,13-14H2,1-3H3
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n/an/a 280n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328810
PNG
(CHEMBL1270166 | rac-6-methyl-7-(naphthalen-1-yleth...)
Show SMILES CC1CN2CCCC2CC1(O)C#Cc1cccc2ccccc12
Show InChI InChI=1S/C21H23NO/c1-16-15-22-13-5-9-19(22)14-21(16,23)12-11-18-8-4-7-17-6-2-3-10-20(17)18/h2-4,6-8,10,16,19,23H,5,9,13-15H2,1H3
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n/an/a 280n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328811
PNG
(CHEMBL1270167 | rac-6-methyl-7-(2-(naphthalen-1-yl...)
Show SMILES CC1CN2CCCC2CC1(O)CCc1cccc2ccccc12
Show InChI InChI=1S/C21H27NO/c1-16-15-22-13-5-9-19(22)14-21(16,23)12-11-18-8-4-7-17-6-2-3-10-20(17)18/h2-4,6-8,10,16,19,23H,5,9,11-15H2,1H3
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n/an/a 345n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328806
PNG
(CHEMBL1270058 | rac-1,2,5-trimethyl-4-(2-(naphthal...)
Show SMILES CC1CC(O)(CCc2cccc3ccccc23)C(C)CN1C
Show InChI InChI=1S/C20H27NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,11-14H2,1-3H3
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n/an/a 480n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50070217
PNG
(3-(3-Bromo-4-methoxy-phenyl)-2-[(E)-hydroxyimino]-...)
Show SMILES COc1ccc(CC(N=O)C(=O)NCCc2cnc[nH]2)cc1Br
Show InChI InChI=1S/C15H17BrN4O3/c1-23-14-3-2-10(6-12(14)16)7-13(20-22)15(21)18-5-4-11-8-17-9-19-11/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,17,19)(H,18,21)
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor in guinea pig brain membrane


J Nat Prod 57: 175-177 (1994)


Article DOI: 10.1021/np50103a029
BindingDB Entry DOI: 10.7270/Q2ZK5GPT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328805
PNG
(CHEMBL1269952 | rac-1,2,5-trimethyl-4-(2-(naphthal...)
Show SMILES CC1CC(O)(\C=C\c2cccc3ccccc23)C(C)CN1C
Show InChI InChI=1S/C20H25NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-12,15-16,22H,13-14H2,1-3H3/b12-11+
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n/an/a 570n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328812
PNG
(CHEMBL1270264 | rac-1,2,5-trimethyl-4-(quinolin-5-...)
Show SMILES CC1CC(O)(C#Cc2cccc3ncccc23)C(C)CN1C
Show InChI InChI=1S/C19H22N2O/c1-14-13-21(3)15(2)12-19(14,22)10-9-16-6-4-8-18-17(16)7-5-11-20-18/h4-8,11,14-15,22H,12-13H2,1-3H3
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n/an/a 690n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328808
PNG
(CHEMBL1270060 | rac-1,2,5-trimethyl-4-(naphthalen-...)
Show SMILES CC1CC(O)(C#Cc2ccc3ccccc3c2)C(C)CN1C
Show InChI InChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)11-10-17-8-9-18-6-4-5-7-19(18)12-17/h4-9,12,15-16,22H,13-14H2,1-3H3
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n/an/a 810n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50253285
PNG
(4-Bromo-N-(3-bromo-4-(3-(dimethylamino)propoxy)phe...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
Show InChI InChI=1S/C18H23Br2N3O2/c1-23(2)8-3-9-25-17-5-4-13(10-15(17)20)6-7-21-18(24)16-11-14(19)12-22-16/h4-5,10-12,22H,3,6-9H2,1-2H3,(H,21,24)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [125I]-APT from histamine H2 receptor in brain of guinea pig


J Nat Prod 71: 1783-6 (2008)


Article DOI: 10.1021/np800339e
BindingDB Entry DOI: 10.7270/Q2QZ29SK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328803
PNG
((2S,4R,5R)-1,2,5-trimethyl-4-(naphthalen-1-ylethyn...)
Show SMILES C[C@H]1C[C@](O)(C#Cc2cccc3ccccc23)[C@H](C)CN1C
Show InChI InChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,13-14H2,1-3H3/t15-,16+,20-/m1/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50253285
PNG
(4-Bromo-N-(3-bromo-4-(3-(dimethylamino)propoxy)phe...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
Show InChI InChI=1S/C18H23Br2N3O2/c1-23(2)8-3-9-25-17-5-4-13(10-15(17)20)6-7-21-18(24)16-11-14(19)12-22-16/h4-5,10-12,22H,3,6-9H2,1-2H3,(H,21,24)
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n/an/a 2.35E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]SMT from histamine H3 receptor in forebrain of rat


J Nat Prod 71: 1783-6 (2008)


Article DOI: 10.1021/np800339e
BindingDB Entry DOI: 10.7270/Q2QZ29SK
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50292430
PNG
(CHEMBL479515 | aerophobin-1)
Show SMILES COC1=C(Br)C(O)C2(CC(=NO2)C(=O)NCCc2cnc[nH]2)C=C1Br
Show InChI InChI=1S/C15H16Br2N4O4/c1-24-12-9(16)4-15(13(22)11(12)17)5-10(21-25-15)14(23)19-3-2-8-6-18-7-20-8/h4,6-7,13,22H,2-3,5H2,1H3,(H,18,20)(H,19,23)
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor in guinea pig brain membrane


J Nat Prod 57: 175-177 (1994)


Article DOI: 10.1021/np50103a029
BindingDB Entry DOI: 10.7270/Q2ZK5GPT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328813
PNG
(CHEMBL1270265 | rac-1,2,5-trimethyl-4-(quinolin-8-...)
Show SMILES CC1CC(O)(C#Cc2cccc3cccnc23)C(C)CN1C
Show InChI InChI=1S/C19H22N2O/c1-14-13-21(3)15(2)12-19(14,22)10-9-17-7-4-6-16-8-5-11-20-18(16)17/h4-8,11,14-15,22H,12-13H2,1-3H3
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n/an/a 9.73E+3n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328804
PNG
(CHEMBL1269951 | rac-1,2,5-trimethyl-4-(naphthalen-...)
Show SMILES CC1CC(OC(C)=O)(C#Cc2cccc3ccccc23)C(C)CN1C
Show InChI InChI=1S/C22H25NO2/c1-16-15-23(4)17(2)14-22(16,25-18(3)24)13-12-20-10-7-9-19-8-5-6-11-21(19)20/h5-11,16-17H,14-15H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325040
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-me...)
Show SMILES CN1CCN(CC1)C(c1nnnn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N6/c1-24-12-14-25(15-13-24)19(18-10-6-3-7-11-18)20-21-22-23-26(20)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair