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Compile Data Set for Download or QSAR

Found 84 hits of ki for UniProtKB: P58406   
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


(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 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 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 H3 receptor


(Mus musculus)
BDBM22541
PNG
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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0.600n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of 3-([1,1,1-3H]methyl)-2-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone from mouse histamine H3 receptor expressed in HE...


Bioorg Med Chem Lett 19: 4075-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.025
BindingDB Entry DOI: 10.7270/Q2GQ6XSZ
More data for this
Ligand-Target Pair
Histamine H3 receptor


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



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from mouse H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis


J Med Chem 62: 10848-10866 (2019)


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


(Mus musculus)
BDBM50352101
PNG
(CHEMBL1824236)
Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCCCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(6.96,-10.59,;8.5,-10.59,;9.27,-9.26,;10.81,-9.26,;11.58,-10.6,;13.11,-10.61,;13.89,-9.28,;13.13,-7.94,;11.58,-7.93,;15.43,-9.29,;16.2,-10.64,;17.73,-10.65,;18.51,-9.32,;17.75,-7.98,;16.21,-7.96,;20.05,-9.33,;20.81,-10.68,;22.34,-10.69,;23.13,-9.37,;22.37,-8.03,;20.83,-8.01,;6.19,-9.25,;4.65,-9.25,;3.89,-10.58,;2.35,-10.58,;1.57,-9.25,;2.35,-7.92,;3.89,-7.92,)|
Show InChI InChI=1S/C25H40N2O/c1-3-16-26(17-4-1)18-7-21-28-25-14-10-23(11-15-25)22-8-12-24(13-9-22)27-19-5-2-6-20-27/h10-11,14-15,22,24H,1-9,12-13,16-21H2/t22-,24-
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1n/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 H3 receptor


(Mus musculus)
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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1n/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 H3 receptor


(Mus musculus)
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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1.40n/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 H3 receptor


(Mus musculus)
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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1.60n/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 H3 receptor


(Mus musculus)
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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1.60n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from histamine H3 receptor in mouse brain cortex after 1 hr by gamma counting analysis


Bioorg Med Chem Lett 23: 2548-54 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.118
BindingDB Entry DOI: 10.7270/Q2416ZFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
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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1.60n/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 H3 receptor


(Mus musculus)
BDBM50264895
PNG
(5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2...)
Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C26H27FN4O/c27-20-8-13-25-24(19-20)29-26(23-7-2-3-14-28-23)31(25)21-9-11-22(12-10-21)32-18-6-17-30-15-4-1-5-16-30/h2-3,7-14,19H,1,4-6,15-18H2
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1.80n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to mouse histamine H3 receptor


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50441503
PNG
(CHEMBL2436628)
Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CCc3ccc(cc3C2)C#N)ccn1
Show InChI InChI=1S/C27H33FN6O/c28-27(7-13-32(14-8-27)18-21-3-9-31-25(30)16-21)26(35)33-11-5-24(6-12-33)34-10-4-22-2-1-20(17-29)15-23(22)19-34/h1-3,9,15-16,24H,4-8,10-14,18-19H2,(H2,30,31)
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 6004-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.013
BindingDB Entry DOI: 10.7270/Q2FJ2J67
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
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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2n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of 3-([1,1,1-3H]methyl)-2-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone from mouse histamine H3 receptor expressed in HE...


Bioorg Med Chem Lett 19: 4075-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.025
BindingDB Entry DOI: 10.7270/Q2GQ6XSZ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50441511
PNG
(CHEMBL2436620)
Show SMILES Cc1nnc2CN(Cc3ccsc3-n12)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1
Show InChI InChI=1S/C26H33FN8OS/c1-18-30-31-23-17-34(16-20-5-13-37-24(20)35(18)23)21-3-9-33(10-4-21)25(36)26(27)6-11-32(12-7-26)15-19-2-8-29-22(28)14-19/h2,5,8,13-14,21H,3-4,6-7,9-12,15-17H2,1H3,(H2,28,29)
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 6004-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.013
BindingDB Entry DOI: 10.7270/Q2FJ2J67
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
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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2.10n/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 H3 receptor


(Mus musculus)
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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2.30n/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 H3 receptor


(Mus musculus)
BDBM50383442
PNG
(CHEMBL2031602)
Show SMILES Cc1nnc2ccc(cn12)-c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C19H25N7S/c1-14-20-21-17-6-5-15(13-26(14)17)18-22-23-19(27-18)25-11-7-16(8-12-25)24-9-3-2-4-10-24/h5-6,13,16H,2-4,7-12H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3354-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.076
BindingDB Entry DOI: 10.7270/Q2DN462S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50246289
PNG
(3-methyl-2-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)q...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H25N3O2/c1-24-21(23-20-8-3-2-7-19(20)22(24)26)17-9-11-18(12-10-17)27-16-6-15-25-13-4-5-14-25/h2-3,7-12H,4-6,13-16H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of 3-([1,1,1-3H]methyl)-2-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone from mouse histamine H3 receptor expressed in HE...


Bioorg Med Chem Lett 19: 4075-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.025
BindingDB Entry DOI: 10.7270/Q2GQ6XSZ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50433200
PNG
(CHEMBL2375594)
Show SMILES CCCC(O)(CCC)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C21H35NO2/c1-3-13-21(23,14-4-2)19-9-11-20(12-10-19)24-18-8-17-22-15-6-5-7-16-22/h9-12,23H,3-8,13-18H2,1-2H3
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2.5n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from histamine H3 receptor in mouse brain cortex after 1 hr by gamma counting analysis


Bioorg Med Chem Lett 23: 2548-54 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.118
BindingDB Entry DOI: 10.7270/Q2416ZFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50383459
PNG
(CHEMBL2031619)
Show SMILES O=c1ccnc2c(cccn12)-c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C20H24N6OS/c27-17-6-9-21-18-16(5-4-12-26(17)18)19-22-23-20(28-19)25-13-7-15(8-14-25)24-10-2-1-3-11-24/h4-6,9,12,15H,1-3,7-8,10-11,13-14H2
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2.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3354-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.076
BindingDB Entry DOI: 10.7270/Q2DN462S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50441506
PNG
(CHEMBL2436625)
Show SMILES COc1ccc2CN(CCCc2c1)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1
Show InChI InChI=1S/C28H38FN5O2/c1-36-25-5-4-23-20-34(12-2-3-22(23)18-25)24-7-13-33(14-8-24)27(35)28(29)9-15-32(16-10-28)19-21-6-11-31-26(30)17-21/h4-6,11,17-18,24H,2-3,7-10,12-16,19-20H2,1H3,(H2,30,31)
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 6004-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.013
BindingDB Entry DOI: 10.7270/Q2FJ2J67
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50441505
PNG
(CHEMBL2436626)
Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CCNc3ccccc3C2)ccn1
Show InChI InChI=1S/C26H35FN6O/c27-26(8-14-31(15-9-26)18-20-5-10-30-24(28)17-20)25(34)32-12-6-22(7-13-32)33-16-11-29-23-4-2-1-3-21(23)19-33/h1-5,10,17,22,29H,6-9,11-16,18-19H2,(H2,28,30)
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 6004-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.013
BindingDB Entry DOI: 10.7270/Q2FJ2J67
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50441509
PNG
(CHEMBL2436622)
Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CCc3ccccc3CC2)ccn1
Show InChI InChI=1S/C27H36FN5O/c28-27(10-17-31(18-11-27)20-21-5-12-30-25(29)19-21)26(34)33-15-8-24(9-16-33)32-13-6-22-3-1-2-4-23(22)7-14-32/h1-5,12,19,24H,6-11,13-18,20H2,(H2,29,30)
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 6004-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.013
BindingDB Entry DOI: 10.7270/Q2FJ2J67
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50274235
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2-me...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N3O2/c1-16-29-22-7-3-6-21(25(26,27)28)23(22)24(32)31(16)18-8-10-19(11-9-18)33-20-12-14-30(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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3.90n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50274200
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2,5-...)
Show SMILES Cc1cccc2nc(C)n(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)c(=O)c12
Show InChI InChI=1S/C25H29N3O2/c1-17-5-3-8-23-24(17)25(29)28(18(2)26-23)20-9-11-21(12-10-20)30-22-13-15-27(16-14-22)19-6-4-7-19/h3,5,8-12,19,22H,4,6-7,13-16H2,1-2H3
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3.90n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50441507
PNG
(CHEMBL2436624)
Show SMILES COc1ccc2CCCN(Cc2c1)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1
Show InChI InChI=1S/C28H38FN5O2/c1-36-25-5-4-22-3-2-12-34(20-23(22)18-25)24-7-13-33(14-8-24)27(35)28(29)9-15-32(16-10-28)19-21-6-11-31-26(30)17-21/h4-6,11,17-18,24H,2-3,7-10,12-16,19-20H2,1H3,(H2,30,31)
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4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 6004-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.013
BindingDB Entry DOI: 10.7270/Q2FJ2J67
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50441514
PNG
(CHEMBL2436633)
Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2Cc3ccccc3-c3ccccc3C2)ccn1
Show InChI InChI=1S/C31H36FN5O/c32-31(12-17-35(18-13-31)20-23-9-14-34-29(33)19-23)30(38)36-15-10-26(11-16-36)37-21-24-5-1-3-7-27(24)28-8-4-2-6-25(28)22-37/h1-9,14,19,26H,10-13,15-18,20-22H2,(H2,33,34)
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4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 6004-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.013
BindingDB Entry DOI: 10.7270/Q2FJ2J67
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50441502
PNG
(CHEMBL2436629)
Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2Cc3ccccc3C2)ccn1
Show InChI InChI=1S/C25H32FN5O/c26-25(8-13-29(14-9-25)16-19-5-10-28-23(27)15-19)24(32)30-11-6-22(7-12-30)31-17-20-3-1-2-4-21(20)18-31/h1-5,10,15,22H,6-9,11-14,16-18H2,(H2,27,28)
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4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 6004-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.013
BindingDB Entry DOI: 10.7270/Q2FJ2J67
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386346
PNG
(CHEMBL2048594)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1ccccn1
Show InChI InChI=1S/C21H30N6OS/c1-4-10-25(11-5-1)17-7-12-26(13-8-17)20-23-24-21(29-20)27-14-15-28-19(16-27)18-6-2-3-9-22-18/h2-3,6,9,17,19H,1,4-5,7-8,10-16H2
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50441504
PNG
(CHEMBL2436627)
Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CCc3ccccc3C2)ccn1
Show InChI InChI=1S/C26H34FN5O/c27-26(9-15-30(16-10-26)18-20-5-11-29-24(28)17-20)25(33)31-13-7-23(8-14-31)32-12-6-21-3-1-2-4-22(21)19-32/h1-5,11,17,23H,6-10,12-16,18-19H2,(H2,28,29)
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4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 6004-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.013
BindingDB Entry DOI: 10.7270/Q2FJ2J67
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386346
PNG
(CHEMBL2048594)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1ccccn1
Show InChI InChI=1S/C21H30N6OS/c1-4-10-25(11-5-1)17-7-12-26(13-8-17)20-23-24-21(29-20)27-14-15-28-19(16-27)18-6-2-3-9-22-18/h2-3,6,9,17,19H,1,4-5,7-8,10-16H2
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50433199
PNG
(CHEMBL2375595)
Show SMILES OC(CC=C)(CC=C)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C21H31NO2/c1-3-13-21(23,14-4-2)19-9-11-20(12-10-19)24-18-8-17-22-15-6-5-7-16-22/h3-4,9-12,23H,1-2,5-8,13-18H2
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4.30n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from histamine H3 receptor in mouse brain cortex after 1 hr by gamma counting analysis


Bioorg Med Chem Lett 23: 2548-54 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.118
BindingDB Entry DOI: 10.7270/Q2416ZFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
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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4.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of 3-([1,1,1-3H]methyl)-2-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone from mouse histamine H3 receptor expressed in HE...


Bioorg Med Chem Lett 19: 4075-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.025
BindingDB Entry DOI: 10.7270/Q2GQ6XSZ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386351
PNG
(CHEMBL2048589)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCCC(=C1)c1ccccn1 |c:24|
Show InChI InChI=1S/C22H30N6S/c1-4-12-26(13-5-1)19-9-15-27(16-10-19)21-24-25-22(29-21)28-14-6-7-18(17-28)20-8-2-3-11-23-20/h2-3,8,11,17,19H,1,4-7,9-10,12-16H2
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50296171
PNG
(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r|
Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methylistamine from mouse histamine H3 receptor by cell-based assay


Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50433198
PNG
(CHEMBL2375588)
Show SMILES OC1CCC(Cc2ccc(OCCCN3CCCCC3)cc2)CC1 |(69.59,-45.6,;68.26,-44.82,;66.92,-45.58,;65.59,-44.81,;65.6,-43.27,;64.27,-42.5,;62.93,-43.27,;62.93,-44.81,;61.59,-45.58,;60.27,-44.8,;58.93,-45.56,;57.6,-44.79,;56.26,-45.56,;54.93,-44.78,;53.6,-45.55,;52.27,-44.77,;50.94,-45.55,;50.94,-47.09,;52.27,-47.85,;53.6,-47.09,;60.26,-43.27,;61.59,-42.5,;66.93,-42.5,;68.26,-43.28,)|
Show InChI InChI=1S/C21H33NO2/c23-20-9-5-18(6-10-20)17-19-7-11-21(12-8-19)24-16-4-15-22-13-2-1-3-14-22/h7-8,11-12,18,20,23H,1-6,9-10,13-17H2
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6.30n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from histamine H3 receptor in mouse brain cortex after 1 hr by gamma counting analysis


Bioorg Med Chem Lett 23: 2548-54 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.118
BindingDB Entry DOI: 10.7270/Q2416ZFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50433194
PNG
(CHEMBL2375587)
Show SMILES O[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:1.0,wD:4.7,(47.57,-42.13,;46.23,-42.89,;46.22,-44.43,;44.89,-45.19,;43.57,-44.41,;43.56,-42.88,;44.9,-42.11,;42.23,-45.18,;42.22,-46.72,;40.89,-47.49,;39.56,-46.71,;38.23,-47.47,;36.9,-46.7,;35.56,-47.46,;34.23,-46.69,;32.89,-47.46,;31.56,-46.68,;30.23,-47.46,;30.23,-49,;31.56,-49.76,;32.89,-49,;39.56,-45.17,;40.89,-44.41,)|
Show InChI InChI=1S/C20H31NO2/c22-19-9-5-17(6-10-19)18-7-11-20(12-8-18)23-16-4-15-21-13-2-1-3-14-21/h7-8,11-12,17,19,22H,1-6,9-10,13-16H2/t17-,19-
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6.90n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from histamine H3 receptor in mouse brain cortex after 1 hr by gamma counting analysis


Bioorg Med Chem Lett 23: 2548-54 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.118
BindingDB Entry DOI: 10.7270/Q2416ZFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50441512
PNG
(CHEMBL2436617)
Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2c3ccccc3Sc3ccccc23)ccn1
Show InChI InChI=1S/C29H32FN5OS/c30-29(12-17-33(18-13-29)20-21-9-14-32-27(31)19-21)28(36)34-15-10-22(11-16-34)35-23-5-1-3-7-25(23)37-26-8-4-2-6-24(26)35/h1-9,14,19,22H,10-13,15-18,20H2,(H2,31,32)
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7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 6004-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.013
BindingDB Entry DOI: 10.7270/Q2FJ2J67
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50441501
PNG
(CHEMBL2436630)
Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2Cc3ccc(F)cc3C2)ccn1
Show InChI InChI=1S/C25H31F2N5O/c26-21-2-1-19-16-32(17-20(19)14-21)22-4-9-31(10-5-22)24(33)25(27)6-11-30(12-7-25)15-18-3-8-29-23(28)13-18/h1-3,8,13-14,22H,4-7,9-12,15-17H2,(H2,28,29)
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7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 6004-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.013
BindingDB Entry DOI: 10.7270/Q2FJ2J67
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386364
PNG
(CHEMBL2048592)
Show SMILES FC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1
Show InChI InChI=1S/C22H31FN6S/c23-22(19-7-2-3-11-24-19)10-6-14-29(17-22)21-26-25-20(30-21)28-15-8-18(9-16-28)27-12-4-1-5-13-27/h2-3,7,11,18H,1,4-6,8-10,12-17H2
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50383445
PNG
(CHEMBL2031605)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)-c1cccc2cccnc12
Show InChI InChI=1S/C21H25N5S/c1-2-12-25(13-3-1)17-9-14-26(15-10-17)21-24-23-20(27-21)18-8-4-6-16-7-5-11-22-19(16)18/h4-8,11,17H,1-3,9-10,12-15H2
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7.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3354-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.076
BindingDB Entry DOI: 10.7270/Q2DN462S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50433197
PNG
(CHEMBL2375597)
Show SMILES OC1(CCCC1)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C19H29NO2/c21-19(11-2-3-12-19)17-7-9-18(10-8-17)22-16-6-15-20-13-4-1-5-14-20/h7-10,21H,1-6,11-16H2
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7.60n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from histamine H3 receptor in mouse brain cortex after 1 hr by gamma counting analysis


Bioorg Med Chem Lett 23: 2548-54 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.118
BindingDB Entry DOI: 10.7270/Q2416ZFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50274692
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-5-fl...)
Show SMILES Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26FN3O2/c1-16-26-22-7-3-6-21(25)23(22)24(29)28(16)18-8-10-19(11-9-18)30-20-12-14-27(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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8.40n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50383456
PNG
(CHEMBL2031616)
Show SMILES O=c1ccoc2ccc(cc12)-c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C21H24N4O2S/c26-18-8-13-27-19-5-4-15(14-17(18)19)20-22-23-21(28-20)25-11-6-16(7-12-25)24-9-2-1-3-10-24/h4-5,8,13-14,16H,1-3,6-7,9-12H2
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3354-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.076
BindingDB Entry DOI: 10.7270/Q2DN462S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50433196
PNG
(CHEMBL2375593)
Show SMILES CCC(O)(CC)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C19H31NO2/c1-3-19(21,4-2)17-9-11-18(12-10-17)22-16-8-15-20-13-6-5-7-14-20/h9-12,21H,3-8,13-16H2,1-2H3
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14n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from histamine H3 receptor in mouse brain cortex after 1 hr by gamma counting analysis


Bioorg Med Chem Lett 23: 2548-54 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.118
BindingDB Entry DOI: 10.7270/Q2416ZFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
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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14n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from mouse brain cortex H3 receptor after 60 mins by gamma counting method


Bioorg Med Chem 26: 2573-2585 (2018)


Article DOI: 10.1016/j.bmc.2018.04.023
BindingDB Entry DOI: 10.7270/Q2TQ641P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50441517
PNG
(CHEMBL2436631)
Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2Cc3cccnc3C2)ccn1
Show InChI InChI=1S/C24H31FN6O/c25-24(6-12-29(13-7-24)15-18-3-9-28-22(26)14-18)23(32)30-10-4-20(5-11-30)31-16-19-2-1-8-27-21(19)17-31/h1-3,8-9,14,20H,4-7,10-13,15-17H2,(H2,26,28)
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15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 6004-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.013
BindingDB Entry DOI: 10.7270/Q2FJ2J67
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386347
PNG
(CHEMBL2048595)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1cnccn1
Show InChI InChI=1S/C20H29N7OS/c1-2-8-25(9-3-1)16-4-10-26(11-5-16)19-23-24-20(29-19)27-12-13-28-18(15-27)17-14-21-6-7-22-17/h6-7,14,16,18H,1-5,8-13,15H2
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386359
PNG
(CHEMBL2048581)
Show SMILES FC1(F)CCN(CC1)c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C17H27F2N5S/c18-17(19)6-12-24(13-7-17)16-21-20-15(25-16)23-10-4-14(5-11-23)22-8-2-1-3-9-22/h14H,1-13H2
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
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