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Compile Data Set for Download or QSAR

Found 1156 hits with Last Name = 'ligneau' and Initial = 'x'   
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))
BDBM50277100
PNG
(4-(3-Piperidin-1-yl-propoxy)-benzoic acid 2-{4-[3-...)
Show SMILES FC(F)(F)c1ccc2Sc3ccccc3N(CCCN3CCN(CCOC(=O)c4ccc(OCCCN5CCCCC5)cc4)CC3)c2c1
Show InChI InChI=1S/C37H45F3N4O3S/c38-37(39,40)30-12-15-35-33(28-30)44(32-8-2-3-9-34(32)48-35)20-6-18-42-21-23-43(24-22-42)25-27-47-36(45)29-10-13-31(14-11-29)46-26-7-19-41-16-4-1-5-17-41/h2-3,8-15,28H,1,4-7,16-27H2
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0.0420n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe Universit£t

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO/HEK293 cells


Bioorg Med Chem Lett 19: 538-42 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.012
BindingDB Entry DOI: 10.7270/Q25H7H6W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50278495
PNG
(4-chloro-1-(4-(3-(piperidin-1-yl)propoxy)benzyl)pi...)
Show SMILES ClC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H31ClN2O/c21-19-9-14-23(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-22-11-2-1-3-12-22/h5-8,19H,1-4,9-17H2
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0.0680n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
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 receptor (H3)


(Homo sapiens (Human))
BDBM50278350
PNG
(4-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)benzyl)pi...)
Show SMILES FC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H31FN2O/c21-19-9-14-23(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-22-11-2-1-3-12-22/h5-8,19H,1-4,9-17H2
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0.0940n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
HRH3


(RAT)
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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0.100n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 452-9 (1994)


BindingDB Entry DOI: 10.7270/Q23X8556
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
HRH3


(RAT)
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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0.150n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 452-9 (1994)


BindingDB Entry DOI: 10.7270/Q23X8556
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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0.160n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50352086
PNG
(CHEMBL1824245)
Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1Cc2ccccc2C1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(21.26,-32.26,;22.8,-32.26,;23.57,-30.93,;25.11,-30.93,;25.87,-32.27,;27.41,-32.28,;28.19,-30.95,;27.42,-29.61,;25.88,-29.6,;29.73,-30.96,;30.49,-32.3,;32.02,-32.32,;32.81,-30.99,;32.05,-29.65,;30.5,-29.63,;34.35,-31,;35.24,-32.26,;36.71,-31.79,;38.03,-32.57,;39.37,-31.82,;39.38,-30.27,;38.06,-29.5,;36.72,-30.25,;35.26,-29.76,;20.49,-30.92,;18.95,-30.92,;18.18,-32.25,;16.64,-32.25,;15.87,-30.92,;16.64,-29.59,;18.18,-29.59,)|
Show InChI InChI=1S/C28H38N2O/c1-4-17-29(18-5-1)19-6-20-31-28-15-11-24(12-16-28)23-9-13-27(14-10-23)30-21-25-7-2-3-8-26(25)22-30/h2-3,7-8,11-12,15-16,23,27H,1,4-6,9-10,13-14,17-22H2/t23-,27-
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0.170n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM22916
PNG
(5-{3-[(4-iodophenyl)methoxy]propyl}-1H-imidazole |...)
Show SMILES Ic1ccc(COCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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0.200n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 452-9 (1994)


BindingDB Entry DOI: 10.7270/Q23X8556
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50278449
PNG
(4-bromo-1-(4-(3-(piperidin-1-yl)propoxy)benzyl)pip...)
Show SMILES BrC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H31BrN2O/c21-19-9-14-23(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-22-11-2-1-3-12-22/h5-8,19H,1-4,9-17H2
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0.200n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50352099
PNG
(CHEMBL1824231)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:3.2,wD:6.9,(46.41,2.61,;45.65,3.95,;46.43,5.28,;44.11,3.96,;43.33,2.64,;41.79,2.65,;41.03,3.99,;41.8,5.32,;43.35,5.3,;39.49,4,;38.71,2.68,;37.18,2.68,;36.41,4.02,;34.87,4.03,;34.1,2.69,;32.56,2.7,;31.79,4.03,;30.25,4.03,;29.49,2.71,;27.95,2.71,;27.17,4.03,;27.95,5.37,;29.49,5.37,;37.18,5.35,;38.72,5.34,)|
Show InChI InChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3/t19-,21-
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0.210n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50278448
PNG
(4,4-difluoro-1-(4-(3-(piperidin-1-yl)propoxy)benzy...)
Show SMILES FC1(F)CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H30F2N2O/c21-20(22)9-14-24(15-10-20)17-18-5-7-19(8-6-18)25-16-4-13-23-11-2-1-3-12-23/h5-8H,1-4,9-17H2
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0.240n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50277045
PNG
(CHEMBL459350 | [3-(10,11-Dihydro-dibenzo[a,d]cyclo...)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6]-c1ccc(-[#8]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C34H42N2O/c1-35(27-28-16-20-31(21-17-28)37-26-10-25-36-23-7-2-8-24-36)22-9-15-34-32-13-5-3-11-29(32)18-19-30-12-4-6-14-33(30)34/h3-6,11-17,20-21H,2,7-10,18-19,22-27H2,1H3
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0.25n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe Universit£t

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO/HEK293 cells


Bioorg Med Chem Lett 19: 538-42 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.012
BindingDB Entry DOI: 10.7270/Q25H7H6W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50352097
PNG
(CHEMBL1824233)
Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(16.79,-1.47,;18.33,-1.47,;19.11,-.14,;20.65,-.14,;21.41,-1.49,;22.94,-1.49,;23.72,-.16,;22.96,1.17,;21.41,1.18,;25.27,-.18,;26.03,-1.52,;27.56,-1.53,;28.34,-.2,;27.58,1.14,;26.04,1.15,;29.88,-.22,;30.96,-1.32,;32.06,-.24,;30.98,.86,;16.03,-.14,;14.49,-.14,;13.72,-1.46,;12.18,-1.46,;11.41,-.14,;12.18,1.2,;13.72,1.2,)|
Show InChI InChI=1S/C23H36N2O/c1-2-14-24(15-3-1)16-5-19-26-23-12-8-21(9-13-23)20-6-10-22(11-7-20)25-17-4-18-25/h8-9,12-13,20,22H,1-7,10-11,14-19H2/t20-,22-
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0.25n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50352095
PNG
(CHEMBL1824235)
Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(16.8,-5.71,;18.34,-5.71,;19.11,-4.38,;20.65,-4.38,;21.42,-5.73,;22.95,-5.73,;23.73,-4.4,;22.96,-3.07,;21.42,-3.06,;25.27,-4.42,;26.03,-5.76,;27.57,-5.77,;28.35,-4.44,;27.59,-3.1,;26.05,-3.09,;29.89,-4.46,;30.79,-5.71,;32.25,-5.25,;32.27,-3.71,;30.81,-3.22,;16.03,-4.38,;14.49,-4.37,;13.73,-5.7,;12.19,-5.7,;11.41,-4.37,;12.19,-3.04,;13.73,-3.04,)|
Show InChI InChI=1S/C24H38N2O/c1-2-15-25(16-3-1)17-6-20-27-24-13-9-22(10-14-24)21-7-11-23(12-8-21)26-18-4-5-19-26/h9-10,13-14,21,23H,1-8,11-12,15-20H2/t21-,23-
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0.25n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
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 receptor (H3)


(Homo sapiens (Human))
BDBM50352084
PNG
(CHEMBL1824247)
Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)NCc1ccccc1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(-6.54,-1.94,;-5,-1.94,;-4.23,-.6,;-2.69,-.6,;-1.93,-1.95,;-.39,-1.96,;.39,-.63,;-.38,.71,;-1.92,.72,;1.93,-.63,;2.69,-1.98,;4.22,-1.99,;5,-.67,;4.24,.68,;2.7,.69,;6.54,-.67,;7.31,.66,;8.85,.66,;9.62,-.68,;11.16,-.68,;11.93,.65,;11.15,1.99,;9.62,1.98,;-7.31,-.6,;-8.85,-.6,;-9.62,-1.93,;-11.16,-1.93,;-11.93,-.6,;-11.16,.73,;-9.62,.73,)|
Show InChI InChI=1S/C27H38N2O/c1-3-8-23(9-4-1)22-28-26-14-10-24(11-15-26)25-12-16-27(17-13-25)30-21-7-20-29-18-5-2-6-19-29/h1,3-4,8-9,12-13,16-17,24,26,28H,2,5-7,10-11,14-15,18-22H2/t24-,26-
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0.260n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50278445
PNG
(4-fluoro-1-(4-(3-(pyrrolidin-1-yl)propoxy)benzyl)p...)
Show SMILES FC1CCN(Cc2ccc(OCCCN3CCCC3)cc2)CC1
Show InChI InChI=1S/C19H29FN2O/c20-18-8-13-22(14-9-18)16-17-4-6-19(7-5-17)23-15-3-12-21-10-1-2-11-21/h4-7,18H,1-3,8-16H2
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0.260n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50278444
PNG
((R)-1-(3-(4-((3-fluoropyrrolidin-1-yl)methyl)pheno...)
Show SMILES F[C@@H]1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)C1 |r|
Show InChI InChI=1S/C19H29FN2O/c20-18-9-13-22(16-18)15-17-5-7-19(8-6-17)23-14-4-12-21-10-2-1-3-11-21/h5-8,18H,1-4,9-16H2/t18-/m1/s1
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0.280n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50352081
PNG
(CHEMBL1824230)
Show SMILES CN(C)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:6.9,3.2,(26.01,2.94,;25.25,4.28,;26.03,5.61,;23.71,4.3,;22.92,2.97,;21.39,2.98,;20.63,4.32,;21.4,5.65,;22.95,5.64,;19.09,4.34,;18.31,3.01,;16.77,3.02,;16.01,4.36,;14.47,4.36,;13.7,3.03,;12.16,3.03,;11.39,4.37,;9.85,4.37,;9.08,3.04,;7.54,3.04,;6.77,4.37,;7.54,5.7,;9.08,5.7,;16.78,5.69,;18.32,5.68,)|
Show InChI InChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3/t19-,21+
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0.280n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from mouse brain cortex histamine H3 receptor after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50278400
PNG
((S)-1-(3-(4-((3-fluoropyrrolidin-1-yl)methyl)pheno...)
Show SMILES F[C@H]1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)C1 |r|
Show InChI InChI=1S/C19H29FN2O/c20-18-9-13-22(16-18)15-17-5-7-19(8-6-17)23-14-4-12-21-10-2-1-3-11-21/h5-8,18H,1-4,9-16H2/t18-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50352085
PNG
(CHEMBL1824246)
Show SMILES C(COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)NCc1ccccc1)CN1CCCCC1 |r,wU:9.9,12.16,(-6.54,-1.94,;-5,-1.94,;-4.23,-.6,;-2.69,-.6,;-1.93,-1.95,;-.39,-1.96,;.39,-.63,;-.38,.71,;-1.92,.72,;1.93,-.63,;2.69,-1.98,;4.22,-1.99,;5,-.67,;4.24,.68,;2.7,.69,;6.54,-.67,;7.31,.66,;8.85,.66,;9.62,-.68,;11.16,-.68,;11.93,.65,;11.15,1.99,;9.62,1.98,;-7.31,-.6,;-8.85,-.6,;-9.62,-1.93,;-11.16,-1.93,;-11.93,-.6,;-11.16,.73,;-9.62,.73,)|
Show InChI InChI=1S/C27H38N2O/c1-3-8-23(9-4-1)22-28-26-14-10-24(11-15-26)25-12-16-27(17-13-25)30-21-7-20-29-18-5-2-6-19-29/h1,3-4,8-9,12-13,16-17,24,26,28H,2,5-7,10-11,14-15,18-22H2/t24-,26+
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0.290n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
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))
BDBM50352081
PNG
(CHEMBL1824230)
Show SMILES CN(C)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:6.9,3.2,(26.01,2.94,;25.25,4.28,;26.03,5.61,;23.71,4.3,;22.92,2.97,;21.39,2.98,;20.63,4.32,;21.4,5.65,;22.95,5.64,;19.09,4.34,;18.31,3.01,;16.77,3.02,;16.01,4.36,;14.47,4.36,;13.7,3.03,;12.16,3.03,;11.39,4.37,;9.85,4.37,;9.08,3.04,;7.54,3.04,;6.77,4.37,;7.54,5.7,;9.08,5.7,;16.78,5.69,;18.32,5.68,)|
Show InChI InChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3/t19-,21+
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0.300n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50278446
PNG
((R)-3-fluoro-1-(4-(3-(pyrrolidin-1-yl)propoxy)benz...)
Show SMILES F[C@@H]1CCN(Cc2ccc(OCCCN3CCCC3)cc2)C1 |r|
Show InChI InChI=1S/C18H27FN2O/c19-17-8-12-21(15-17)14-16-4-6-18(7-5-16)22-13-3-11-20-9-1-2-10-20/h4-7,17H,1-3,8-15H2/t17-/m1/s1
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0.310n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50352092
PNG
(CHEMBL1824239)
Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:7.7,wD:10.14,(38.82,-17.68,;37.28,-17.66,;36.49,-18.99,;34.95,-18.97,;34.2,-17.63,;34.98,-16.3,;36.52,-16.32,;32.66,-17.61,;31.88,-18.94,;30.34,-18.93,;29.58,-17.59,;30.35,-16.26,;31.9,-16.27,;28.04,-17.57,;27.26,-18.9,;25.73,-18.89,;24.96,-17.55,;23.42,-17.55,;22.65,-18.88,;21.11,-18.88,;20.34,-17.54,;18.8,-17.54,;18.04,-18.87,;16.5,-18.87,;15.72,-17.54,;16.5,-16.21,;18.04,-16.21,;25.73,-16.22,;27.27,-16.23,)|
Show InChI InChI=1S/C25H41N3O/c1-26-17-19-28(20-18-26)24-10-6-22(7-11-24)23-8-12-25(13-9-23)29-21-5-16-27-14-3-2-4-15-27/h8-9,12-13,22,24H,2-7,10-11,14-21H2,1H3/t22-,24-
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0.320n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50352096
PNG
(CHEMBL1824234)
Show SMILES C(COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1 |r,wU:9.9,12.16,(-5.18,-6.04,;-3.64,-6.04,;-2.87,-4.71,;-1.33,-4.71,;-.56,-6.05,;.97,-6.06,;1.75,-4.73,;.98,-3.39,;-.56,-3.38,;3.29,-4.74,;4.05,-6.09,;5.59,-6.1,;6.37,-4.77,;5.61,-3.43,;4.07,-3.41,;7.91,-4.78,;8.81,-6.04,;10.27,-5.57,;10.29,-4.03,;8.83,-3.54,;-5.95,-4.7,;-7.49,-4.7,;-8.25,-6.03,;-9.79,-6.03,;-10.57,-4.7,;-9.79,-3.37,;-8.25,-3.37,)|
Show InChI InChI=1S/C24H38N2O/c1-2-15-25(16-3-1)17-6-20-27-24-13-9-22(10-14-24)21-7-11-23(12-8-21)26-18-4-5-19-26/h9-10,13-14,21,23H,1-8,11-12,15-20H2/t21-,23+
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0.330n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50352095
PNG
(CHEMBL1824235)
Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(16.8,-5.71,;18.34,-5.71,;19.11,-4.38,;20.65,-4.38,;21.42,-5.73,;22.95,-5.73,;23.73,-4.4,;22.96,-3.07,;21.42,-3.06,;25.27,-4.42,;26.03,-5.76,;27.57,-5.77,;28.35,-4.44,;27.59,-3.1,;26.05,-3.09,;29.89,-4.46,;30.79,-5.71,;32.25,-5.25,;32.27,-3.71,;30.81,-3.22,;16.03,-4.38,;14.49,-4.37,;13.73,-5.7,;12.19,-5.7,;11.41,-4.37,;12.19,-3.04,;13.73,-3.04,)|
Show InChI InChI=1S/C24H38N2O/c1-2-15-25(16-3-1)17-6-20-27-24-13-9-22(10-14-24)21-7-11-23(12-8-21)26-18-4-5-19-26/h9-10,13-14,21,23H,1-8,11-12,15-20H2/t21-,23-
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0.330n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from mouse brain cortex histamine H3 receptor after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
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 receptor (H3)


(Homo sapiens (Human))
BDBM50352098
PNG
(CHEMBL1824232)
Show SMILES C(COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCC1)CN1CCCCC1 |r,wU:9.9,12.16,(-5.54,-1.1,;-4,-1.1,;-3.23,.23,;-1.69,.23,;-.93,-1.11,;.61,-1.12,;1.38,.21,;.62,1.55,;-.93,1.56,;2.93,.19,;3.69,-1.15,;5.22,-1.16,;6.01,.17,;5.25,1.51,;3.7,1.52,;7.55,.15,;8.62,-.94,;9.72,.13,;8.64,1.23,;-6.31,.24,;-7.85,.24,;-8.62,-1.09,;-10.16,-1.09,;-10.93,.24,;-10.16,1.57,;-8.62,1.57,)|
Show InChI InChI=1S/C23H36N2O/c1-2-14-24(15-3-1)16-5-19-26-23-12-8-21(9-13-23)20-6-10-22(11-7-20)25-17-4-18-25/h8-9,12-13,20,22H,1-7,10-11,14-19H2/t20-,22+
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0.340n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50277046
PNG
(CHEMBL517244 | methyl({4-[3-(piperidin-1-yl)propox...)
Show InChI InChI=1S/C35H44N2O/c1-36(27-28-15-17-29(18-16-28)38-26-10-25-37-23-7-2-8-24-37)22-9-20-35-21-19-30(31-11-3-5-13-33(31)35)32-12-4-6-14-34(32)35/h3-6,11-18,30H,2,7-10,19-27H2,1H3
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0.358n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe Universit£t

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO/HEK293 cells


Bioorg Med Chem Lett 19: 538-42 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.012
BindingDB Entry DOI: 10.7270/Q25H7H6W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50352087
PNG
(CHEMBL1824244)
Show SMILES C(COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1Cc2ccccc2C1)CN1CCCCC1 |r,wU:9.9,12.16,(-4.94,-32.61,;-3.4,-32.61,;-2.63,-31.28,;-1.09,-31.28,;-.33,-32.62,;1.2,-32.63,;1.98,-31.3,;1.22,-29.96,;-.33,-29.95,;3.53,-31.31,;4.29,-32.65,;5.82,-32.67,;6.61,-31.34,;5.84,-30,;4.3,-29.98,;8.15,-31.35,;9.04,-32.61,;10.5,-32.14,;11.83,-32.92,;13.17,-32.17,;13.18,-30.62,;11.85,-29.85,;10.52,-30.6,;9.06,-30.11,;-5.71,-31.27,;-7.25,-31.27,;-8.02,-32.6,;-9.56,-32.6,;-10.33,-31.27,;-9.56,-29.94,;-8.02,-29.94,)|
Show InChI InChI=1S/C28H38N2O/c1-4-17-29(18-5-1)19-6-20-31-28-15-11-24(12-16-28)23-9-13-27(14-10-23)30-21-25-7-2-3-8-26(25)22-30/h2-3,7-8,11-12,15-16,23,27H,1,4-6,9-10,13-14,17-22H2/t23-,27+
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0.410n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50352090
PNG
(CHEMBL1824241)
Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCOCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(21.81,-23.48,;23.35,-23.48,;24.12,-22.15,;25.66,-22.15,;26.43,-23.49,;27.96,-23.5,;28.74,-22.17,;27.97,-20.83,;26.43,-20.82,;30.28,-22.18,;31.04,-23.52,;32.58,-23.53,;33.36,-22.21,;32.6,-20.87,;31.05,-20.85,;34.9,-22.22,;35.65,-23.56,;37.19,-23.58,;37.97,-22.26,;37.22,-20.92,;35.67,-20.9,;21.04,-22.14,;19.5,-22.14,;18.74,-23.47,;17.2,-23.47,;16.42,-22.14,;17.2,-20.8,;18.74,-20.8,)|
Show InChI InChI=1S/C24H38N2O2/c1-2-13-25(14-3-1)15-4-18-28-24-11-7-22(8-12-24)21-5-9-23(10-6-21)26-16-19-27-20-17-26/h7-8,11-12,21,23H,1-6,9-10,13-20H2/t21-,23-
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0.410n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
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
HRH3


(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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0.480n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 452-9 (1994)


BindingDB Entry DOI: 10.7270/Q23X8556
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 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
HRH3


(RAT)
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |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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0.5n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 452-9 (1994)


BindingDB Entry DOI: 10.7270/Q23X8556
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50352099
PNG
(CHEMBL1824231)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:3.2,wD:6.9,(46.41,2.61,;45.65,3.95,;46.43,5.28,;44.11,3.96,;43.33,2.64,;41.79,2.65,;41.03,3.99,;41.8,5.32,;43.35,5.3,;39.49,4,;38.71,2.68,;37.18,2.68,;36.41,4.02,;34.87,4.03,;34.1,2.69,;32.56,2.7,;31.79,4.03,;30.25,4.03,;29.49,2.71,;27.95,2.71,;27.17,4.03,;27.95,5.37,;29.49,5.37,;37.18,5.35,;38.72,5.34,)|
Show InChI InChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3/t19-,21-
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0.520n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from mouse brain cortex histamine H3 receptor after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50352080
PNG
(CHEMBL1824248)
Show SMILES CCCCN[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:8.11,5.4,(13.77,-38.89,;12.23,-38.87,;11.45,-40.2,;9.91,-40.18,;9.13,-41.51,;7.59,-41.5,;6.8,-42.82,;5.27,-42.81,;4.51,-41.47,;5.28,-40.14,;6.82,-40.16,;2.96,-41.46,;2.18,-42.79,;.65,-42.78,;-.11,-41.44,;-1.65,-41.43,;-2.42,-42.77,;-3.96,-42.76,;-4.73,-41.43,;-6.27,-41.43,;-7.04,-42.75,;-8.58,-42.75,;-9.35,-41.43,;-8.58,-40.09,;-7.04,-40.09,;.65,-40.11,;2.2,-40.12,)|
Show InChI InChI=1S/C24H40N2O/c1-2-3-16-25-23-12-8-21(9-13-23)22-10-14-24(15-11-22)27-20-7-19-26-17-5-4-6-18-26/h10-11,14-15,21,23,25H,2-9,12-13,16-20H2,1H3/t21-,23+
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0.530n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
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 receptor (H3)


(Homo sapiens (Human))
BDBM50352094
PNG
(CHEMBL1824237)
Show SMILES CC1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:10.14,7.7,(24.57,-13.55,;23.03,-13.53,;22.24,-14.85,;20.71,-14.83,;19.96,-13.49,;20.73,-12.16,;22.28,-12.18,;18.42,-13.48,;17.64,-14.8,;16.1,-14.79,;15.34,-13.45,;16.11,-12.12,;17.66,-12.14,;13.8,-13.44,;13.02,-14.76,;11.49,-14.76,;10.72,-13.42,;9.19,-13.41,;8.41,-14.75,;6.87,-14.74,;6.11,-13.41,;4.57,-13.41,;3.8,-14.73,;2.26,-14.73,;1.49,-13.41,;2.26,-12.07,;3.8,-12.07,;11.49,-12.09,;13.03,-12.1,)|
Show InChI InChI=1S/C26H42N2O/c1-22-14-19-28(20-15-22)25-10-6-23(7-11-25)24-8-12-26(13-9-24)29-21-5-18-27-16-3-2-4-17-27/h8-9,12-13,22-23,25H,2-7,10-11,14-21H2,1H3/t23-,25+
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0.560n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50352088
PNG
(CHEMBL1824243)
Show SMILES OC1CCN(CC1)[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:7.7,wD:10.14,(38.79,-26.58,;37.25,-26.57,;36.46,-27.89,;34.93,-27.87,;34.18,-26.53,;34.95,-25.2,;36.5,-25.22,;32.64,-26.51,;31.85,-27.84,;30.32,-27.83,;29.56,-26.49,;30.33,-25.16,;31.88,-25.17,;28.02,-26.47,;27.24,-27.8,;25.71,-27.8,;24.94,-26.45,;23.4,-26.45,;22.63,-27.78,;21.09,-27.78,;20.33,-26.45,;18.79,-26.44,;18.02,-27.77,;16.48,-27.77,;15.71,-26.44,;16.48,-25.11,;18.02,-25.11,;25.71,-25.13,;27.25,-25.14,)|
Show InChI InChI=1S/C25H40N2O2/c28-24-13-18-27(19-14-24)23-9-5-21(6-10-23)22-7-11-25(12-8-22)29-20-4-17-26-15-2-1-3-16-26/h7-8,11-12,21,23-24,28H,1-6,9-10,13-20H2/t21-,23-
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0.570n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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0.580n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
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