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Compile Data Set for Download or QSAR

Found 462 hits with Last Name = 'kaleta' and Initial = 'm'   
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 H3 receptor


(Homo sapiens (Human))
BDBM50535225
PNG
(CHEMBL4516622)
Show SMILES C[C@@H]1CCCN1[C@H]1C[C@@H](C1)c1ccc(cc1)-c1ccc(cc1)C#N |r,wU:8.11,1.0,wD:6.6,(34.83,-7.94,;35.15,-9.44,;34.11,-10.59,;34.88,-11.92,;36.39,-11.6,;36.55,-10.07,;37.88,-9.3,;39.37,-9.7,;39.77,-8.21,;38.28,-7.81,;41.1,-7.45,;41.1,-5.9,;42.43,-5.13,;43.77,-5.9,;43.77,-7.45,;42.43,-8.22,;45.09,-5.12,;46.43,-5.89,;47.76,-5.12,;47.75,-3.58,;46.41,-2.81,;45.08,-3.59,;49.08,-2.8,;50.41,-2.03,)|
Show InChI InChI=1S/C22H24N2/c1-16-3-2-12-24(16)22-13-21(14-22)20-10-8-19(9-11-20)18-6-4-17(15-23)5-7-18/h4-11,16,21-22H,2-3,12-14H2,1H3/t16-,21-,22-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to human H3R


Bioorg Med Chem 25: 5341-5354 (2017)


Article DOI: 10.1016/j.bmc.2017.07.058
BindingDB Entry DOI: 10.7270/Q29W0K0D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
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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0.300n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50158595
PNG
((4'-(3-((2R,5R)-2,5-dimethylpyrrolidin-1-yl)propox...)
Show SMILES C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C26H34N2O3/c1-20-4-5-21(2)28(20)14-3-17-31-25-12-10-23(11-13-25)22-6-8-24(9-7-22)26(29)27-15-18-30-19-16-27/h6-13,20-21H,3-5,14-19H2,1-2H3/t20-,21-/m1/s1
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0.420n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to human H3R expressed in rat C6 cells


Bioorg Med Chem 25: 5341-5354 (2017)


Article DOI: 10.1016/j.bmc.2017.07.058
BindingDB Entry DOI: 10.7270/Q29W0K0D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50533199
PNG
(CHEMBL4527011)
Show SMILES [H][C@]12CCN(c3ccc(cc3)-c3ccc(cc3)-n3ncccc3=O)[C@@]1([H])CN(C)C2 |r|
Show InChI InChI=1S/C23H24N4O/c1-25-15-19-12-14-26(22(19)16-25)20-8-4-17(5-9-20)18-6-10-21(11-7-18)27-23(28)3-2-13-24-27/h2-11,13,19,22H,12,14-16H2,1H3/t19-,22+/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human H3R expressed in rat C6 cells incubated for 20 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 25: 5341-5354 (2017)


Article DOI: 10.1016/j.bmc.2017.07.058
BindingDB Entry DOI: 10.7270/Q29W0K0D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (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



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)alpha-MeHA from rat brain H3 receptor


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


(Homo sapiens (Human))
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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2.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human striatal full length 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


(Homo sapiens (Human))
BDBM50272040
PNG
(CHEMBL4129950)
Show SMILES C[C@@H](NCc1ccc(OCc2ccc(OCCCN3CCCCC3)cc2)cc1)C(N)=O |r|
Show InChI InChI=1S/C25H35N3O3/c1-20(25(26)29)27-18-21-6-10-24(11-7-21)31-19-22-8-12-23(13-9-22)30-17-5-16-28-14-3-2-4-15-28/h6-13,20,27H,2-5,14-19H2,1H3,(H2,26,29)/t20-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]-Nalpha-MeHA from human H3 receptor expressed in HEK293 cell membranes by scintillation 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


(Homo sapiens (Human))
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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6.5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human striatal full length H3 receptor expressed in CHOK1 cells after 60 mins


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


(Homo sapiens (Human))
BDBM50459836
PNG
(CHEMBL4227989)
Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCN2CCCCC2)cc1
Show InChI InChI=1S/C21H35NO/c1-4-21(2,3)19-11-13-20(14-12-19)23-18-10-6-9-17-22-15-7-5-8-16-22/h11-14H,4-10,15-18H2,1-3H3
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8.80n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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11n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to human H3 receptor


Bioorg Med Chem Lett 28: 3596-3600 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.048
BindingDB Entry DOI: 10.7270/Q26D5X88
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
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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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-Methylhistamine from recombinant human histamine H3 receptor expressed in human HEK293 cells incubated for 90 mins by mic...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
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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12n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant full length H3R expressed in HEK293 cell membranes incubated for 90 mins by liqui...


Bioorg Med Chem 25: 5341-5354 (2017)


Article DOI: 10.1016/j.bmc.2017.07.058
BindingDB Entry DOI: 10.7270/Q29W0K0D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50459827
PNG
(CHEMBL4225644)
Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCN2CCCC(C)C2)cc1
Show InChI InChI=1S/C22H37NO.C2H2O4/c1-5-22(3,4)20-11-13-21(14-12-20)24-17-8-6-7-15-23-16-9-10-19(2)18-23;3-1(4)2(5)6/h11-14,19H,5-10,15-18H2,1-4H3;(H,3,4)(H,5,6)
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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 recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
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


(Rattus norvegicus (rat))
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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17n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
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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17n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from rat 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


(Homo sapiens (Human))
BDBM50535226
PNG
(CHEMBL4445028)
Show SMILES OC(=O)C(O)=O.C(CCCN1CCCCCC1)CCOc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C24H33NO/c1-2-9-18-25(17-8-1)19-10-3-4-11-20-26-24-16-12-15-23(21-24)22-13-6-5-7-14-22/h5-7,12-16,21H,1-4,8-11,17-20H2
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18n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant full length H3R expressed in HEK293 cell membranes incubated for 90 mins by liqui...


Bioorg Med Chem 25: 5341-5354 (2017)


Article DOI: 10.1016/j.bmc.2017.07.058
BindingDB Entry DOI: 10.7270/Q29W0K0D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50459832
PNG
(CHEMBL4226427)
Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C22H37NO/c1-4-22(2,3)20-12-14-21(15-13-20)24-19-11-7-10-18-23-16-8-5-6-9-17-23/h12-15H,4-11,16-19H2,1-3H3
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21n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50272087
PNG
(CHEMBL4125793)
Show SMILES C[C@H](NCc1ccc(OCc2ccc(OCCCN3CCCCC3)cc2)cc1)C(N)=O |r|
Show InChI InChI=1S/C25H35N3O3/c1-20(25(26)29)27-18-21-6-10-24(11-7-21)31-19-22-8-12-23(13-9-22)30-17-5-16-28-14-3-2-4-15-28/h6-13,20,27H,2-5,14-19H2,1H3,(H2,26,29)/t20-/m0/s1
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21n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]-Nalpha-MeHA from human H3 receptor expressed in HEK293 cell membranes by scintillation 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


(Homo sapiens (Human))
BDBM50272054
PNG
(CHEMBL4129589)
Show SMILES C(CCOc1cccc2ccccc12)CCN1CCCCCC1
Show InChI InChI=1S/C21H29NO/c1-2-7-16-22(15-6-1)17-8-3-9-18-23-21-14-10-12-19-11-4-5-13-20(19)21/h4-5,10-14H,1-3,6-9,15-18H2
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22n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins


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


(Homo sapiens (Human))
BDBM50459831
PNG
(CHEMBL4227269)
Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C22H37NO/c1-5-22(3,4)20-9-11-21(12-10-20)24-18-8-6-7-15-23-16-13-19(2)14-17-23/h9-12,19H,5-8,13-18H2,1-4H3
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23n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50535224
PNG
(CHEMBL4540849)
Show SMILES OC(=O)C(O)=O.C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCC1
Show InChI InChI=1S/C22H29NO/c1-4-10-20(11-5-1)21-12-14-22(15-13-21)24-19-9-3-8-18-23-16-6-2-7-17-23/h1,4-5,10-15H,2-3,6-9,16-19H2
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25n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant full length H3R expressed in HEK293 cell membranes incubated for 90 mins by liqui...


Bioorg Med Chem 25: 5341-5354 (2017)


Article DOI: 10.1016/j.bmc.2017.07.058
BindingDB Entry DOI: 10.7270/Q29W0K0D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
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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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50272075
PNG
(CHEMBL4126298)
Show SMILES CC1CCCN(CCCCCOc2cccc3ccccc23)C1
Show InChI InChI=1S/C21H29NO/c1-18-9-8-15-22(17-18)14-5-2-6-16-23-21-13-7-11-19-10-3-4-12-20(19)21/h3-4,7,10-13,18H,2,5-6,8-9,14-17H2,1H3
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33n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins


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


(Homo sapiens (Human))
BDBM50535223
PNG
(CHEMBL4586133)
Show SMILES OC(=O)C(O)=O.C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCCC1
Show InChI InChI=1S/C23H31NO/c1-2-8-18-24(17-7-1)19-9-4-10-20-25-23-15-13-22(14-16-23)21-11-5-3-6-12-21/h3,5-6,11-16H,1-2,4,7-10,17-20H2
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34n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant full length H3R expressed in HEK293 cell membranes incubated for 90 mins by liqui...


Bioorg Med Chem 25: 5341-5354 (2017)


Article DOI: 10.1016/j.bmc.2017.07.058
BindingDB Entry DOI: 10.7270/Q29W0K0D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50459833
PNG
(CHEMBL4226168)
Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCN2CCCC(C)C2)cc1
Show InChI InChI=1S/C23H39NO.C2H2O4/c1-5-23(3,4)21-12-14-22(15-13-21)25-18-9-7-6-8-16-24-17-10-11-20(2)19-24;3-1(4)2(5)6/h12-15,20H,5-11,16-19H2,1-4H3;(H,3,4)(H,5,6)
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34n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50459826
PNG
(CHEMBL4226155)
Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCCN2CCCC(C)C2)cc1
Show InChI InChI=1S/C24H41NO.C2H2O4/c1-5-24(3,4)22-13-15-23(16-14-22)26-19-10-8-6-7-9-17-25-18-11-12-21(2)20-25;3-1(4)2(5)6/h13-16,21H,5-12,17-20H2,1-4H3;(H,3,4)(H,5,6)
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37n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50405715
PNG
(CHEMBL4173079)
Show SMILES CCC(C)(C)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C19H21NO3S2/c1-12(11-24)18(21)20-10-16(9-17(20)19(22)23)25-15-7-6-13-4-2-3-5-14(13)8-15/h2-8,12,16-17,24H,9-11H2,1H3,(H,22,23)/t12-,16+,17+/m1/s1
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37n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta2 scintillation coun...


Bioorg Med Chem Lett 28: 3596-3600 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.048
BindingDB Entry DOI: 10.7270/Q26D5X88
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50459838
PNG
(CHEMBL4226957)
Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C23H39NO/c1-4-23(2,3)21-13-15-22(16-14-21)25-20-12-8-7-11-19-24-17-9-5-6-10-18-24/h13-16H,4-12,17-20H2,1-3H3
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41n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50272080
PNG
(CHEMBL4126023)
Show SMILES CC1CCCN(CCCCCOc2ccc3ccccc3c2)C1
Show InChI InChI=1S/C21H29NO/c1-18-8-7-14-22(17-18)13-5-2-6-15-23-21-12-11-19-9-3-4-10-20(19)16-21/h3-4,9-12,16,18H,2,5-8,13-15,17H2,1H3
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42n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins


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


(Homo sapiens (Human))
BDBM50272076
PNG
(CHEMBL4127523)
Show SMILES CC1CCN(CCCCCOc2cccc3ccccc23)CC1
Show InChI InChI=1S/C21H29NO/c1-18-12-15-22(16-13-18)14-5-2-6-17-23-21-11-7-9-19-8-3-4-10-20(19)21/h3-4,7-11,18H,2,5-6,12-17H2,1H3
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43n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins


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


(Homo sapiens (Human))
BDBM50459825
PNG
(CHEMBL4228780)
Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCN2CCCC(C)C2)cc1
Show InChI InChI=1S/C21H35NO.C2H2O4/c1-5-21(3,4)19-10-12-20(13-11-19)23-16-7-6-14-22-15-8-9-18(2)17-22;3-1(4)2(5)6/h10-13,18H,5-9,14-17H2,1-4H3;(H,3,4)(H,5,6)
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46n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-Methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cell membranes after 90 mins by liquid sc...


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50459821
PNG
(CHEMBL4227016)
Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCN2CCCCC2)cc1
Show InChI InChI=1S/C22H37NO/c1-4-22(2,3)20-12-14-21(15-13-20)24-19-11-6-5-8-16-23-17-9-7-10-18-23/h12-15H,4-11,16-19H2,1-3H3
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47n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50272056
PNG
(CHEMBL4127134)
Show SMILES CC1CCCN(CCCCCCOc2cccc3ccccc23)C1
Show InChI InChI=1S/C22H31NO/c1-19-10-9-16-23(18-19)15-6-2-3-7-17-24-22-14-8-12-20-11-4-5-13-21(20)22/h4-5,8,11-14,19H,2-3,6-7,9-10,15-18H2,1H3
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48n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins


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


(Homo sapiens (Human))
BDBM50272057
PNG
(CHEMBL4126193)
Show SMILES C(CCCN1CCCCC1)CCOc1cccc2ccccc12
Show InChI InChI=1S/C21H29NO/c1(6-15-22-16-7-3-8-17-22)2-9-18-23-21-14-10-12-19-11-4-5-13-20(19)21/h4-5,10-14H,1-3,6-9,15-18H2
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53n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins


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


(Homo sapiens (Human))
BDBM50272053
PNG
(CHEMBL4126145)
Show SMILES C(CCOc1cccc2ccccc12)CCN1CCCCC1
Show InChI InChI=1S/C20H27NO/c1-5-14-21(15-6-1)16-7-2-8-17-22-20-13-9-11-18-10-3-4-12-19(18)20/h3-4,9-13H,1-2,5-8,14-17H2
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54n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins


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


(Homo sapiens (Human))
BDBM50272086
PNG
(CHEMBL4126104)
Show SMILES C(CCOc1ccc2ccccc2c1)CCN1CCCCC1
Show InChI InChI=1S/C20H27NO/c1-5-13-21(14-6-1)15-7-2-8-16-22-20-12-11-18-9-3-4-10-19(18)17-20/h3-4,9-12,17H,1-2,5-8,13-16H2
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54n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins


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


(Homo sapiens (Human))
BDBM50459834
PNG
(CHEMBL4227944)
Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H39NO/c1-4-23(2,3)21-13-15-22(16-14-21)25-20-12-7-5-6-9-17-24-18-10-8-11-19-24/h13-16H,4-12,17-20H2,1-3H3
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55n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556119
PNG
(CHEMBL4757387)
Show SMILES CC1CCCN(CCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)C1
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56n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50272077
PNG
(CHEMBL4128774)
Show SMILES CC1CCCN(CCCCCCOc2ccc3ccccc3c2)C1
Show InChI InChI=1S/C22H31NO/c1-19-9-8-15-23(18-19)14-6-2-3-7-16-24-22-13-12-20-10-4-5-11-21(20)17-22/h4-5,10-13,17,19H,2-3,6-9,14-16,18H2,1H3
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56n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins


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


(Homo sapiens (Human))
BDBM50272079
PNG
(CHEMBL4129344)
Show SMILES C(CCOc1ccc2ccccc2c1)CCN1CCCCCC1
Show InChI InChI=1S/C21H29NO/c1-2-7-15-22(14-6-1)16-8-3-9-17-23-21-13-12-19-10-4-5-11-20(19)18-21/h4-5,10-13,18H,1-3,6-9,14-17H2
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57n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins


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


(Homo sapiens (Human))
BDBM50459837
PNG
(CHEMBL4227803)
Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C23H39NO/c1-5-23(3,4)21-10-12-22(13-11-21)25-19-9-7-6-8-16-24-17-14-20(2)15-18-24/h10-13,20H,5-9,14-19H2,1-4H3
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61n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50272078
PNG
(CHEMBL4128623)
Show SMILES C(CCCN1CCCCC1)CCOc1ccc2ccccc2c1
Show InChI InChI=1S/C21H29NO/c1(6-14-22-15-7-3-8-16-22)2-9-17-23-21-13-12-19-10-4-5-11-20(19)18-21/h4-5,10-13,18H,1-3,6-9,14-17H2
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62n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins


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


(Homo sapiens (Human))
BDBM50507184
PNG
(CHEMBL4561401)
Show SMILES CCC(C)(C)c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C18H29NO/c1-4-18(2,3)16-8-10-17(11-9-16)20-15-7-14-19-12-5-6-13-19/h8-11H,4-7,12-15H2,1-3H3
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63n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta2 scintillation coun...


Bioorg Med Chem Lett 28: 3596-3600 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.048
BindingDB Entry DOI: 10.7270/Q26D5X88
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50459839
PNG
(CHEMBL4228195)
Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C24H41NO/c1-5-24(3,4)22-11-13-23(14-12-22)26-20-10-8-6-7-9-17-25-18-15-21(2)16-19-25/h11-14,21H,5-10,15-20H2,1-4H3
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64n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50459823
PNG
(CHEMBL4225907)
Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C21H35NO/c1-4-21(2,3)19-11-13-20(14-12-19)23-18-10-9-17-22-15-7-5-6-8-16-22/h11-14H,4-10,15-18H2,1-3H3
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68n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-Methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cell membranes after 90 mins by liquid sc...


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50272055
PNG
(CHEMBL4129084)
Show SMILES C(CCCN1CCCCCC1)CCOc1cccc2ccccc12
Show InChI InChI=1S/C22H31NO/c1-2-8-17-23(16-7-1)18-9-3-4-10-19-24-22-15-11-13-20-12-5-6-14-21(20)22/h5-6,11-15H,1-4,7-10,16-19H2
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69n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]-Nalpha-MeHA from full length recombinant human H3 receptor expressed in HEK293 cell membranes after 90 mins by scintillation c...


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


(Homo sapiens (Human))
BDBM50272055
PNG
(CHEMBL4129084)
Show SMILES C(CCCN1CCCCCC1)CCOc1cccc2ccccc12
Show InChI InChI=1S/C22H31NO/c1-2-8-17-23(16-7-1)18-9-3-4-10-19-24-22-15-11-13-20-12-5-6-14-21(20)22/h5-6,11-15H,1-4,7-10,16-19H2
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69n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins


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


(Homo sapiens (Human))
BDBM50272041
PNG
(CHEMBL4127379)
Show SMILES C(CCCN1CCCCCC1)CCOc1ccc2ccccc2c1
Show InChI InChI=1S/C22H31NO/c1-2-8-16-23(15-7-1)17-9-3-4-10-18-24-22-14-13-20-11-5-6-12-21(20)19-22/h5-6,11-14,19H,1-4,7-10,15-18H2
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69n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins


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


(Homo sapiens (Human))
BDBM50053435
PNG
(CHEMBL3323035)
Show SMILES C(COc1ccc2N=C3CCCN3Cc2c1)CN1CCCCC1 |t:7|
Show InChI InChI=1S/C19H27N3O/c1-2-9-21(10-3-1)11-5-13-23-17-7-8-18-16(14-17)15-22-12-4-6-19(22)20-18/h7-8,14H,1-6,9-13,15H2
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76n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine H3 receptor expressed in Sf9 cells incubated for 60 mins by liquid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
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