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Compile Data Set for Download or QSAR

Found 670 hits with Last Name = 'arrang' and Initial = 'jm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50110291
PNG
((7-Chloro-quinolin-4-yl)-[4-(3-piperidin-1-yl-prop...)
Show SMILES Clc1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
Show InChI InChI=1S/C23H26ClN3O/c24-18-5-10-21-22(11-12-25-23(21)17-18)26-19-6-8-20(9-7-19)28-16-4-15-27-13-2-1-3-14-27/h5-12,17H,1-4,13-16H2,(H,25,26)
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0.0860n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50110288
PNG
(CHEMBL15153 | N-(4-(3-(piperidin-1-yl)propoxy)phen...)
Show SMILES C(COc1ccc(Nc2ccnc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C23H27N3O/c1-4-15-26(16-5-1)17-6-18-27-20-11-9-19(10-12-20)25-23-13-14-24-22-8-3-2-7-21(22)23/h2-3,7-14H,1,4-6,15-18H2,(H,24,25)
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0.0910n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
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



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))
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))
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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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 receptor (H3)


(Homo sapiens (Human))
BDBM50110300
PNG
(CHEMBL15056 | N-(4-(3-(piperidin-1-yl)propoxy)phen...)
Show SMILES C(COc1ccc(CCNc2c3CCCCc3nc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C29H37N3O/c1-6-19-32(20-7-1)21-8-22-33-24-15-13-23(14-16-24)17-18-30-29-25-9-2-4-11-27(25)31-28-12-5-3-10-26(28)29/h2,4,9,11,13-16H,1,3,5-8,10,12,17-22H2,(H,30,31)
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0.330n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091396
PNG
(4-[3-(1H-Imidazol-4-yl)-propoxy]-benzaldehyde oxim...)
Show SMILES O=NCc1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H15N3O2/c17-16-8-11-3-5-13(6-4-11)18-7-1-2-12-9-14-10-15-12/h3-6,9-10H,1-2,7-8H2,(H,14,15)
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0.440n/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))
BDBM50091382
PNG
(CHEMBL324724 | N-Hydroxy-4-[3-(1H-imidazol-4-yl)-p...)
Show SMILES ONC(=N)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H16N4O2/c14-13(17-18)10-3-5-12(6-4-10)19-7-1-2-11-8-15-9-16-11/h3-6,8-9,18H,1-2,7H2,(H2,14,17)(H,15,16)
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0.460n/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))
BDBM27213
PNG
(4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...)
Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
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0.490n/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))
BDBM27213
PNG
(4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...)
Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
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0.490n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine


J Med Chem 43: 3987-94 (2000)


BindingDB Entry DOI: 10.7270/Q2833SRN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM27213
PNG
(4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...)
Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
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0.490n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro binding affinity against rat histamine H3 receptor


J Med Chem 47: 2678-87 (2004)


Article DOI: 10.1021/jm031065q
BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM27213
PNG
(4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...)
Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
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0.490n/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 receptor (H3)


(Homo sapiens (Human))
BDBM50110311
PNG
(CHEMBL276938 | {2-[4-(3-Piperidin-1-yl-propoxy)-ph...)
Show SMILES C(COc1ccc(CCNc2ccnc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C25H31N3O/c1-4-17-28(18-5-1)19-6-20-29-22-11-9-21(10-12-22)13-15-26-25-14-16-27-24-8-3-2-7-23(24)25/h2-3,7-12,14,16H,1,4-6,13,15,17-20H2,(H,26,27)
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0.530n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50093224
PNG
(CHEMBL309302 | Cyclopropyl-{4-[3-(1H-imidazol-4-yl...)
Show SMILES OC(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H20N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12,16,19H,1-4,9H2,(H,17,18)
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0.580n/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))
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
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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0.600n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine


J Med Chem 43: 3987-94 (2000)


BindingDB Entry DOI: 10.7270/Q2833SRN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
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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0.600n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


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


Bioorg Med Chem Lett 8: 2011-6 (1999)


BindingDB Entry DOI: 10.7270/Q28K788H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
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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0.600n/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))
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
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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0.600n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro antagonistic activity of the compound against Histamine H3 receptor on Synaptosomes of rat cerebral cortex.


J Med Chem 39: 1157-63 (1996)


Article DOI: 10.1021/jm9507688
BindingDB Entry DOI: 10.7270/Q2SF2V7G
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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0.600n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 90: 8547-51 (1993)


Article DOI: 10.1073/pnas.90.18.8547
BindingDB Entry DOI: 10.7270/Q29Z93D3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50092853
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-propan...)
Show SMILES CCC(=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18N2O2/c1-2-15(18)12-5-7-14(8-6-12)19-9-3-4-13-10-16-11-17-13/h5-8,10-11H,2-4,9H2,1H3,(H,16,17)
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0.740n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine


J Med Chem 43: 3987-94 (2000)


BindingDB Entry DOI: 10.7270/Q2833SRN
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50283867
PNG
(CHEMBL98165 | N-Cyclohexylmethyl-N'-[3-(1H-imidazo...)
Show SMILES N=C(NCCCc1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C14H25N5/c15-14(18-9-12-5-2-1-3-6-12)17-8-4-7-13-10-16-11-19-13/h10-12H,1-9H2,(H,16,19)(H3,15,17,18)
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0.740n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity for Histamine H3 receptor binding in guinea pig


Bioorg Med Chem Lett 4: 2907-2912 (1994)


Article DOI: 10.1016/S0960-894X(01)80838-6
BindingDB Entry DOI: 10.7270/Q20K28H8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50110285
PNG
(CHEMBL274041 | {3-[4-(3-Piperidin-1-yl-propoxy)-ph...)
Show SMILES C(COc1ccc(CCCNc2ccnc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C26H33N3O/c1-4-18-29(19-5-1)20-7-21-30-23-13-11-22(12-14-23)8-6-16-27-26-15-17-28-25-10-3-2-9-24(25)26/h2-3,9-15,17H,1,4-8,16,18-21H2,(H,27,28)
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0.75n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50283867
PNG
(CHEMBL98165 | N-Cyclohexylmethyl-N'-[3-(1H-imidazo...)
Show SMILES N=C(NCCCc1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C14H25N5/c15-14(18-9-12-5-2-1-3-6-12)17-8-4-7-13-10-16-11-19-13/h10-12H,1-9H2,(H,16,19)(H3,15,17,18)
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0.794n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity for Histamine H3 receptor on electrically evoked guinea-pig ileum contraction


Bioorg Med Chem Lett 4: 2907-2912 (1994)


Article DOI: 10.1016/S0960-894X(01)80838-6
BindingDB Entry DOI: 10.7270/Q20K28H8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091386
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-ethano...)
Show SMILES CC(=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16N2O2/c1-11(17)12-4-6-14(7-5-12)18-8-2-3-13-9-15-10-16-13/h4-7,9-10H,2-3,8H2,1H3,(H,15,16)
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0.800n/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))
BDBM50091386
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-ethano...)
Show SMILES CC(=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16N2O2/c1-11(17)12-4-6-14(7-5-12)18-8-2-3-13-9-15-10-16-13/h4-7,9-10H,2-3,8H2,1H3,(H,15,16)
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0.800n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine


J Med Chem 43: 3987-94 (2000)


BindingDB Entry DOI: 10.7270/Q2833SRN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50092841
PNG
(CHEMBL128690 | Cyclobutyl-{4-[3-(1H-imidazol-4-yl)...)
Show SMILES O=C(C1CCC1)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C17H20N2O2/c20-17(13-3-1-4-13)14-6-8-16(9-7-14)21-10-2-5-15-11-18-12-19-15/h6-9,11-13H,1-5,10H2,(H,18,19)
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0.890n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine


J Med Chem 43: 3987-94 (2000)


BindingDB Entry DOI: 10.7270/Q2833SRN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091372
PNG
(CHEMBL322481 | N-(1-{4-[3-(1H-Imidazol-4-yl)-propo...)
Show SMILES CC(NO)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H19N3O2/c1-11(17-18)12-4-6-14(7-5-12)19-8-2-3-13-9-15-10-16-13/h4-7,9-11,17-18H,2-3,8H2,1H3,(H,15,16)
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0.930n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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0.940n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 90: 8547-51 (1993)


Article DOI: 10.1073/pnas.90.18.8547
BindingDB Entry DOI: 10.7270/Q29Z93D3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
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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1.10n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan binding to human histamine H3 receptor of 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))
BDBM50092846
PNG
(1-{2-Fluoro-4-[3-(1H-imidazol-4-yl)-propoxy]-pheny...)
Show SMILES CC(=O)c1ccc(OCCCc2cnc[nH]2)cc1F
Show InChI InChI=1S/C14H15FN2O2/c1-10(18)13-5-4-12(7-14(13)15)19-6-2-3-11-8-16-9-17-11/h4-5,7-9H,2-3,6H2,1H3,(H,16,17)
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1.10n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine


J Med Chem 43: 3987-94 (2000)


BindingDB Entry DOI: 10.7270/Q2833SRN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50092848
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-2-methyl-pheny...)
Show SMILES CC(=O)c1ccc(OCCCc2cnc[nH]2)cc1C
Show InChI InChI=1S/C15H18N2O2/c1-11-8-14(5-6-15(11)12(2)18)19-7-3-4-13-9-16-10-17-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17)
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1.20n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine


J Med Chem 43: 3987-94 (2000)


BindingDB Entry DOI: 10.7270/Q2833SRN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
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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1.40n/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))
BDBM50091371
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-2-methyl-pheny...)
Show SMILES CC(N=O)c1ccc(OCCCc2cnc[nH]2)cc1C
Show InChI InChI=1S/C15H19N3O2/c1-11-8-14(5-6-15(11)12(2)18-19)20-7-3-4-13-9-16-10-17-13/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,16,17)
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1.40n/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 receptor (H3)


(Homo sapiens (Human))
BDBM50110299
PNG
(CHEMBL14754 | {3-[4-(3-Piperidin-1-yl-propoxy)-phe...)
Show SMILES C(COc1ccc(CCCNc2c3CCCCc3nc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C30H39N3O/c1-6-20-33(21-7-1)22-9-23-34-25-17-15-24(16-18-25)10-8-19-31-30-26-11-2-4-13-28(26)32-29-14-5-3-12-27(29)30/h2,4,11,13,15-18H,1,3,5-10,12,14,19-23H2,(H,31,32)
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1.40n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50110290
PNG
(CHEMBL14484 | {4-[4-(3-Piperidin-1-yl-propoxy)-phe...)
Show SMILES C(CCc1ccc(OCCCN2CCCCC2)cc1)CNc1ccnc2ccccc12
Show InChI InChI=1S/C27H35N3O/c1-6-19-30(20-7-1)21-8-22-31-24-14-12-23(13-15-24)9-4-5-17-28-27-16-18-29-26-11-3-2-10-25(26)27/h2-3,10-16,18H,1,4-9,17,19-22H2,(H,28,29)
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1.5n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091384
PNG
(4-[3-(1H-Imidazol-4-yl)-propoxy]-benzoic acid hydr...)
Show SMILES NNC(=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H16N4O2/c14-17-13(18)10-3-5-12(6-4-10)19-7-1-2-11-8-15-9-16-11/h3-6,8-9H,1-2,7,14H2,(H,15,16)(H,17,18)
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1.5n/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))
BDBM50091375
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-3-methyl-pheny...)
Show SMILES CC(N=O)c1ccc(OCCCc2cnc[nH]2)c(C)c1
Show InChI InChI=1S/C15H19N3O2/c1-11-8-13(12(2)18-19)5-6-15(11)20-7-3-4-14-9-16-10-17-14/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,16,17)
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1.5n/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
HRH3


(GUINEA PIG)
BDBM50283869
PNG
(CHEMBL99830 | N-[3-(1H-Imidazol-4-yl)-propyl]-N'-(...)
Show SMILES Ic1ccc(CNC(=N)NCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H18IN5/c15-12-5-3-11(4-6-12)8-19-14(16)18-7-1-2-13-9-17-10-20-13/h3-6,9-10H,1-2,7-8H2,(H,17,20)(H3,16,18,19)
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1.58n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity for Histamine H3 receptor on electrically evoked guinea-pig ileum contraction


Bioorg Med Chem Lett 4: 2907-2912 (1994)


Article DOI: 10.1016/S0960-894X(01)80838-6
BindingDB Entry DOI: 10.7270/Q20K28H8
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50283869
PNG
(CHEMBL99830 | N-[3-(1H-Imidazol-4-yl)-propyl]-N'-(...)
Show SMILES Ic1ccc(CNC(=N)NCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H18IN5/c15-12-5-3-11(4-6-12)8-19-14(16)18-7-1-2-13-9-17-10-20-13/h3-6,9-10H,1-2,7-8H2,(H,17,20)(H3,16,18,19)
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1.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity for Histamine H3 receptor binding in guinea pig


Bioorg Med Chem Lett 4: 2907-2912 (1994)


Article DOI: 10.1016/S0960-894X(01)80838-6
BindingDB Entry DOI: 10.7270/Q20K28H8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50110306
PNG
((6-Piperidin-1-yl-hexyl)-(1,2,3,4-tetrahydro-acrid...)
Show SMILES C(CCCN1CCCCC1)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H35N3/c1(2-9-17-27-18-10-3-11-19-27)8-16-25-24-20-12-4-6-14-22(20)26-23-15-7-5-13-21(23)24/h4,6,12,14H,1-3,5,7-11,13,15-19H2,(H,25,26)
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1.80n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50092845
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-butan-...)
Show SMILES CCCC(=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H20N2O2/c1-2-4-16(19)13-6-8-15(9-7-13)20-10-3-5-14-11-17-12-18-14/h6-9,11-12H,2-5,10H2,1H3,(H,17,18)
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1.90n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine


J Med Chem 43: 3987-94 (2000)


BindingDB Entry DOI: 10.7270/Q2833SRN
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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2n/an/an/an/an/an/an/an/a



Unité 109

Curated by PDSP Ki Database




Invest Radiol -2 (1988)


Article DOI: 10.1097/00004424-198809001-00017
BindingDB Entry DOI: 10.7270/Q22R3Q5W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50071197
PNG
(4-(4-Phenyl-butyl)-1H-imidazole | CHEMBL296450)
Show SMILES C(CCc1ccccc1)Cc1cnc[nH]1
Show InChI InChI=1S/C13H16N2/c1-2-6-12(7-3-1)8-4-5-9-13-10-14-11-15-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,14,15)
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2.10n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan binding to human histamine H3 receptor of CHO-K1 cells


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


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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2.10n/an/an/an/an/an/an/an/a



Unité 109

Curated by PDSP Ki Database




Invest Radiol -2 (1988)


Article DOI: 10.1097/00004424-198809001-00017
BindingDB Entry DOI: 10.7270/Q22R3Q5W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50093225
PNG
(CHEMBL76440 | Cyclopropyl-{4-[2-(1H-imidazol-4-yl)...)
Show SMILES O=C(C1CC1)c1ccc(OCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H16N2O2/c18-15(11-1-2-11)12-3-5-14(6-4-12)19-8-7-13-9-16-10-17-13/h3-6,9-11H,1-2,7-8H2,(H,16,17)
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2.10n/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))
BDBM50092844
PNG
(4-[3-(4-Methoxy-phenoxy)-propyl]-1H-imidazole; com...)
Show SMILES COc1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H16N2O2/c1-16-12-4-6-13(7-5-12)17-8-2-3-11-9-14-10-15-11/h4-7,9-10H,2-3,8H2,1H3,(H,14,15)
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2.20n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine


J Med Chem 43: 3987-94 (2000)


BindingDB Entry DOI: 10.7270/Q2833SRN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091383
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-propan...)
Show SMILES CCC(N=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H19N3O2/c1-2-15(18-19)12-5-7-14(8-6-12)20-9-3-4-13-10-16-11-17-13/h5-8,10-11,15H,2-4,9H2,1H3,(H,16,17)
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2.20n/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))
BDBM50067472
PNG
(4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole | 4-...)
Show SMILES C#Cc1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H14N2O/c1-2-12-5-7-14(8-6-12)17-9-3-4-13-10-15-11-16-13/h1,5-8,10-11H,3-4,9H2,(H,15,16)
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2.30n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine


J Med Chem 43: 3987-94 (2000)


BindingDB Entry DOI: 10.7270/Q2833SRN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50067472
PNG
(4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole | 4-...)
Show SMILES C#Cc1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H14N2O/c1-2-12-5-7-14(8-6-12)17-9-3-4-13-10-15-11-16-13/h1,5-8,10-11H,3-4,9H2,(H,15,16)
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2.30n/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
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