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Compile Data Set for Download or QSAR

Found 915 hits with Last Name = 'bajda' 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))
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
Displacement of [3H]Nalpha-methylhistamine from full-length human histamine H3 receptor expressed in HEK cells after 30 mins by liquid scintillation ...


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
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
Displacement of [3H]Nalpha-methylhistamine from full-length human histamine H3 receptor expressed in HEK cells after 30 mins by liquid scintillation ...


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50004518
PNG
(CHEMBL2079256)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-32-29(36)31(25-13-5-3-6-14-25,26-15-7-4-8-16-26)35(30(32)37)20-12-11-19-33-21-23-34(24-22-33)27-17-9-10-18-28(27)38-2/h3-10,13-18H,11-12,19-24H2,1-2H3
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4.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting


Bioorg Med Chem 20: 2290-303 (2012)


Article DOI: 10.1016/j.bmc.2012.02.009
BindingDB Entry DOI: 10.7270/Q2XW4NP9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50004518
PNG
(CHEMBL2079256)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-32-29(36)31(25-13-5-3-6-14-25,26-15-7-4-8-16-26)35(30(32)37)20-12-11-19-33-21-23-34(24-22-33)27-17-9-10-18-28(27)38-2/h3-10,13-18H,11-12,19-24H2,1-2H3
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4.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting


Bioorg Med Chem 20: 2290-303 (2012)


Article DOI: 10.1016/j.bmc.2012.02.009
BindingDB Entry DOI: 10.7270/Q2XW4NP9
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 histamine H3 receptor stably expressed in HEK293 cell membrane after 90 mins


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111785
BindingDB Entry DOI: 10.7270/Q2Q81HF9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50485264
PNG
(CHEMBL2041585)
Show SMILES Cl.COC(=O)CN1C(=O)N(CCCCN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H38N4O5/c1-41-29-18-10-9-17-28(29)35-23-21-34(22-24-35)19-11-12-20-37-32(40)36(25-30(38)42-2)31(39)33(37,26-13-5-3-6-14-26)27-15-7-4-8-16-27/h3-10,13-18H,11-12,19-25H2,1-2H3
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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]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting


Bioorg Med Chem 20: 2290-303 (2012)


Article DOI: 10.1016/j.bmc.2012.02.009
BindingDB Entry DOI: 10.7270/Q2XW4NP9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50485264
PNG
(CHEMBL2041585)
Show SMILES Cl.COC(=O)CN1C(=O)N(CCCCN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H38N4O5/c1-41-29-18-10-9-17-28(29)35-23-21-34(22-24-35)19-11-12-20-37-32(40)36(25-30(38)42-2)31(39)33(37,26-13-5-3-6-14-26)27-15-7-4-8-16-27/h3-10,13-18H,11-12,19-25H2,1-2H3
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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]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting


Bioorg Med Chem 20: 2290-303 (2012)


Article DOI: 10.1016/j.bmc.2012.02.009
BindingDB Entry DOI: 10.7270/Q2XW4NP9
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))
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))
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))
BDBM50519413
PNG
(CHEMBL4475205)
Show SMILES CC1CCCN(CCCCCCOc2ccc(cc2)-c2cc(=O)c3cc(C)ccc3o2)C1
Show InChI InChI=1S/C28H35NO3/c1-21-9-14-27-25(18-21)26(30)19-28(32-27)23-10-12-24(13-11-23)31-17-6-4-3-5-15-29-16-7-8-22(2)20-29/h9-14,18-19,22H,3-8,15-17,20H2,1-2H3
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60n/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 histamine H3 receptor stably expressed in HEK293 cell membrane after 90 mins


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111785
BindingDB Entry DOI: 10.7270/Q2Q81HF9
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))
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
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



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H3 receptor expressed in Sf9 insect cell membranes after 60 mins by liquid scintillation counting ...


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
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



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H3 receptor expressed in Sf9 insect cell membranes after 60 mins by liquid scintillation counting ...


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50519409
PNG
(CHEMBL4554399)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCN(C\C=C\c3ccccc3)CC2)cc1
Show InChI InChI=1S/C26H32N2O2/c29-26(23-9-10-23)24-11-13-25(14-12-24)30-21-5-16-28-19-17-27(18-20-28)15-4-8-22-6-2-1-3-7-22/h1-4,6-8,11-14,23H,5,9-10,15-21H2/b8-4+
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83n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human histamine H3 receptor stably expressed in CHOK1 cells after 60 mins


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111785
BindingDB Entry DOI: 10.7270/Q2Q81HF9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50519407
PNG
(CHEMBL4529681)
Show SMILES CCc1ccc(OCCCCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C20H33NO/c1-2-19-11-13-20(14-12-19)22-18-10-6-5-9-17-21-15-7-3-4-8-16-21/h11-14H,2-10,15-18H2,1H3
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84n/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 histamine H3 receptor stably expressed in HEK293 cell membrane after 90 mins


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111785
BindingDB Entry DOI: 10.7270/Q2Q81HF9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556131
PNG
(CHEMBL4789324)
Show SMILES Clc1ccc2c(c1)oc1ccc(OCCCCCN3CCCCCC3)cc1c2=O
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86n/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))
BDBM50556127
PNG
(CHEMBL4777210)
Show SMILES CC1CCN(CCCCCCOc2ccc3oc4ccccc4c(=O)c3c2)CC1
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97n/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))
BDBM50507165
PNG
(CHEMBL4560631)
Show SMILES CCC(C)(C)c1ccc(OCCCN2CCCC(C)C2)cc1
Show InChI InChI=1S/C20H33NO/c1-5-20(3,4)18-9-11-19(12-10-18)22-15-7-14-21-13-6-8-17(2)16-21/h9-12,17H,5-8,13-16H2,1-4H3
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100n/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))
BDBM50556121
PNG
(CHEMBL4796334)
Show SMILES CC1CCCN(CCCCCCOc2ccc3oc4ccccc4c(=O)c3c2)C1
PDB

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100n/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))
BDBM50556132
PNG
(CHEMBL4783624)
Show SMILES Clc1ccc2oc3ccc(OCCCCCN4CCCCCC4)cc3c(=O)c2c1
PDB

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100n/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))
BDBM50556124
PNG
(CHEMBL4797681)
Show SMILES CC1CCN(CCCCCOc2ccc3oc4ccccc4c(=O)c3c2)CC1
PDB

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110n/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))
BDBM50519411
PNG
(CHEMBL4518890)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H28N2O2/c26-23(19-7-8-19)20-9-11-22(12-10-20)27-18-4-13-24-14-16-25(17-15-24)21-5-2-1-3-6-21/h1-3,5-6,9-12,19H,4,7-8,13-18H2
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111n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111785
BindingDB Entry DOI: 10.7270/Q2Q81HF9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50508998
PNG
(CHEMBL3747907)
Show SMILES Clc1ccc(OCCCCCCCN2CCCCC2)cc1
Show InChI InChI=1S/C18H28ClNO/c19-17-9-11-18(12-10-17)21-16-8-3-1-2-5-13-20-14-6-4-7-15-20/h9-12H,1-8,13-16H2
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128n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50508998
PNG
(CHEMBL3747907)
Show SMILES Clc1ccc(OCCCCCCCN2CCCCC2)cc1
Show InChI InChI=1S/C18H28ClNO/c19-17-9-11-18(12-10-17)21-16-8-3-1-2-5-13-20-14-6-4-7-15-20/h9-12H,1-8,13-16H2
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128n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50519412
PNG
(CHEMBL4474399)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCCCN2CCCCC2)cc1
Show InChI InChI=1S/C27H33NO3/c1-21-9-14-26-24(19-21)25(29)20-27(31-26)22-10-12-23(13-11-22)30-18-8-3-2-5-15-28-16-6-4-7-17-28/h9-14,19-20H,2-8,15-18H2,1H3
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MMDB

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129n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111785
BindingDB Entry DOI: 10.7270/Q2Q81HF9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50519412
PNG
(CHEMBL4474399)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCCCN2CCCCC2)cc1
Show InChI InChI=1S/C27H33NO3/c1-21-9-14-26-24(19-21)25(29)20-27(31-26)22-10-12-23(13-11-22)30-18-8-3-2-5-15-28-16-6-4-7-17-28/h9-14,19-20H,2-8,15-18H2,1H3
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129n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111785
BindingDB Entry DOI: 10.7270/Q2Q81HF9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50533191
PNG
(CHEMBL3747892)
Show SMILES CC1CCCN(CCCCCOc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C17H26ClNO/c1-15-6-5-12-19(14-15)11-3-2-4-13-20-17-9-7-16(18)8-10-17/h7-10,15H,2-6,11-14H2,1H3
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133n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50533191
PNG
(CHEMBL3747892)
Show SMILES CC1CCCN(CCCCCOc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C17H26ClNO/c1-15-6-5-12-19(14-15)11-3-2-4-13-20-17-9-7-16(18)8-10-17/h7-10,15H,2-6,11-14H2,1H3
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133n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556126
PNG
(CHEMBL4786252)
Show SMILES CC1CCN(CCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)CC1
PDB

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140n/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))
BDBM50507161
PNG
(CHEMBL4449671)
Show SMILES CCC(C)(C)c1ccc(OCCCN2C(C)CCCC2C)cc1
Show InChI InChI=1S/C21H35NO/c1-6-21(4,5)19-11-13-20(14-12-19)23-16-8-15-22-17(2)9-7-10-18(22)3/h11-14,17-18H,6-10,15-16H2,1-5H3
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140n/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))
BDBM50507164
PNG
(CHEMBL4473751)
Show SMILES CCC(C)(C)c1ccc(OCCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C20H33NO/c1-5-20(3,4)18-7-9-19(10-8-18)22-16-6-13-21-14-11-17(2)12-15-21/h7-10,17H,5-6,11-16H2,1-4H3
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147n/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))
BDBM50556120
PNG
(CHEMBL4784081)
Show SMILES CC1CCCN(CCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)C1
PDB

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148n/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))
BDBM50556114
PNG
(CHEMBL4798732)
Show SMILES Clc1ccc2oc3ccc(OCCCCCN4CCCCC4)cc3c(=O)c2c1
PDB

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150n/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))
BDBM50556118
PNG
(CHEMBL4759463)
Show SMILES CC1CCCN(CCCCCOc2ccc3oc4ccccc4c(=O)c3c2)C1
PDB

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156n/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))
BDBM50519406
PNG
(CHEMBL4455690)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C28H35NO3/c1-22-10-15-27-25(20-22)26(30)21-28(32-27)23-11-13-24(14-12-23)31-19-9-5-4-8-18-29-16-6-2-3-7-17-29/h10-15,20-21H,2-9,16-19H2,1H3
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160n/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 histamine H3 receptor stably expressed in HEK293 cell membrane after 90 mins


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111785
BindingDB Entry DOI: 10.7270/Q2Q81HF9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556130
PNG
(CHEMBL4797355)
Show SMILES O=c1c2ccccc2oc2ccc(OCCCCCN3CCCCCC3)cc12
PDB

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170n/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))
BDBM50556113
PNG
(CHEMBL4750579)
Show SMILES O=c1c2ccccc2oc2ccc(OCCCCCN3CCCCC3)cc12
PDB

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172n/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))
BDBM50533181
PNG
(CHEMBL3747896)
Show SMILES CC1CCCN(CCCCCCOc2cccc(Cl)c2)C1
Show InChI InChI=1S/C18H28ClNO/c1-16-8-7-12-20(15-16)11-4-2-3-5-13-21-18-10-6-9-17(19)14-18/h6,9-10,14,16H,2-5,7-8,11-13,15H2,1H3
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174n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50533181
PNG
(CHEMBL3747896)
Show SMILES CC1CCCN(CCCCCCOc2cccc(Cl)c2)C1
Show InChI InChI=1S/C18H28ClNO/c1-16-8-7-12-20(15-16)11-4-2-3-5-13-21-18-10-6-9-17(19)14-18/h6,9-10,14,16H,2-5,7-8,11-13,15H2,1H3
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174n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50519406
PNG
(CHEMBL4455690)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C28H35NO3/c1-22-10-15-27-25(20-22)26(30)21-28(32-27)23-11-13-24(14-12-23)31-19-9-5-4-8-18-29-16-6-2-3-7-17-29/h10-15,20-21H,2-9,16-19H2,1H3
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176n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111785
BindingDB Entry DOI: 10.7270/Q2Q81HF9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50519406
PNG
(CHEMBL4455690)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C28H35NO3/c1-22-10-15-27-25(20-22)26(30)21-28(32-27)23-11-13-24(14-12-23)31-19-9-5-4-8-18-29-16-6-2-3-7-17-29/h10-15,20-21H,2-9,16-19H2,1H3
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178n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111785
BindingDB Entry DOI: 10.7270/Q2Q81HF9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50533192
PNG
(CHEMBL3747908)
Show SMILES CC1CCCN(CCCCCCCOc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C19H30ClNO/c1-17-8-7-14-21(16-17)13-5-3-2-4-6-15-22-19-11-9-18(20)10-12-19/h9-12,17H,2-8,13-16H2,1H3
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180n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50533192
PNG
(CHEMBL3747908)
Show SMILES CC1CCCN(CCCCCCCOc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C19H30ClNO/c1-17-8-7-14-21(16-17)13-5-3-2-4-6-15-22-19-11-9-18(20)10-12-19/h9-12,17H,2-8,13-16H2,1H3
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180n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50519408
PNG
(CHEMBL4454949)
Show SMILES CCc1ccc(OCCCCCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C20H33NO/c1-3-19-8-10-20(11-9-19)22-17-7-5-4-6-14-21-15-12-18(2)13-16-21/h8-11,18H,3-7,12-17H2,1-2H3
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182n/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 histamine H3 receptor stably expressed in HEK293 cell membrane after 90 mins


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111785
BindingDB Entry DOI: 10.7270/Q2Q81HF9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50533187
PNG
(CHEMBL3747901)
Show SMILES CC1CCN(CCCCCCOc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C18H28ClNO/c1-16-10-13-20(14-11-16)12-4-2-3-5-15-21-18-8-6-17(19)7-9-18/h6-9,16H,2-5,10-15H2,1H3
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189n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50533187
PNG
(CHEMBL3747901)
Show SMILES CC1CCN(CCCCCCOc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C18H28ClNO/c1-16-10-13-20(14-11-16)12-4-2-3-5-15-21-18-8-6-17(19)7-9-18/h6-9,16H,2-5,10-15H2,1H3
PDB

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189n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
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