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Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with all data for entry = 50002773   
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))
BDBM50462785
PNG
(CHEMBL4245973)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1nc(C)c(s1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C23H31N3O3S/c1-17-5-3-10-25(17)11-4-14-29-20-8-6-19(7-9-20)22-24-18(2)21(30-22)23(27)26-12-15-28-16-13-26/h6-9,17H,3-5,10-16H2,1-2H3/t17-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50070213
PNG
(3-(4-Chloro-benzyl)-5-[2-(1H-imidazol-4-yl)-ethyl]...)
Show SMILES Clc1ccc(Cc2noc(CCc3cnc[nH]3)n2)cc1
Show InChI InChI=1S/C14H13ClN4O/c15-11-3-1-10(2-4-11)7-13-18-14(20-19-13)6-5-12-8-16-9-17-12/h1-4,8-9H,5-7H2,(H,16,17)
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2.5n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from histamine H3 receptor in rat brain membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50413824
PNG
(CHEMBL473093)
Show SMILES CCCN1CCN(CC1)c1ncc(CCN(C)CCCc2ccccc2)s1
Show InChI InChI=1S/C22H34N4S/c1-3-12-25-15-17-26(18-16-25)22-23-19-21(27-22)11-14-24(2)13-7-10-20-8-5-4-6-9-20/h4-6,8-9,19H,3,7,10-18H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293T cell membranes after 60 mins by liquid scintillatio...


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462811
PNG
(CHEMBL4240664)
Show SMILES Cc1sc(nc1OCCN1CCCC1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C17H19N3OS/c1-13-16(21-11-10-20-8-2-3-9-20)19-17(22-13)15-6-4-14(12-18)5-7-15/h4-7H,2-3,8-11H2,1H3
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4.20n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462808
PNG
(CHEMBL4240159)
Show SMILES Cc1sc(nc1OC(=O)N1CCC(CC1)N1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C21H27N3O2S/c1-16-19(22-20(27-16)17-8-4-2-5-9-17)26-21(25)24-14-10-18(11-15-24)23-12-6-3-7-13-23/h2,4-5,8-9,18H,3,6-7,10-15H2,1H3
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5.40n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462821
PNG
(CHEMBL4247219)
Show SMILES Cc1sc(nc1OCc1ccc(CN2CCCCC2)cc1)-c1cnccn1
Show InChI InChI=1S/C21H24N4OS/c1-16-20(24-21(27-16)19-13-22-9-10-23-19)26-15-18-7-5-17(6-8-18)14-25-11-3-2-4-12-25/h5-10,13H,2-4,11-12,14-15H2,1H3
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7n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462792
PNG
(CHEMBL4248654)
Show SMILES Cc1sc(nc1OCCCN1CCCCC1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H23N3OS/c1-15-18(23-13-5-12-22-10-3-2-4-11-22)21-19(24-15)17-8-6-16(14-20)7-9-17/h6-9H,2-5,10-13H2,1H3
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21n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462791
PNG
(CHEMBL4243928)
Show SMILES Cc1sc(nc1OCCN1CCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H19ClN2OS/c1-12-15(20-11-10-19-8-2-3-9-19)18-16(21-12)13-4-6-14(17)7-5-13/h4-7H,2-3,8-11H2,1H3
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22n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462781
PNG
(CHEMBL4244388)
Show SMILES Cc1sc(nc1OC(=O)N1CCC(CC1)N1CCCCC1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H26N4O2S/c1-16-20(24-21(29-16)18-7-5-17(15-23)6-8-18)28-22(27)26-13-9-19(10-14-26)25-11-3-2-4-12-25/h5-8,19H,2-4,9-14H2,1H3
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42n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462809
PNG
(CHEMBL4248174)
Show SMILES Cc1sc(nc1OCCN1CCCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H21ClN2OS/c1-13-16(21-12-11-20-9-3-2-4-10-20)19-17(22-13)14-5-7-15(18)8-6-14/h5-8H,2-4,9-12H2,1H3
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44n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462805
PNG
(CHEMBL4238115)
Show SMILES Cc1sc(nc1OCCN1CCCC1)-c1ccccc1
Show InChI InChI=1S/C16H20N2OS/c1-13-15(19-12-11-18-9-5-6-10-18)17-16(20-13)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12H2,1H3
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47n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462810
PNG
(CHEMBL4240564)
Show SMILES Cc1sc(nc1OC(=O)N1CCC(CC1)N1CCCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClN3O2S/c1-15-19(23-20(28-15)16-5-7-17(22)8-6-16)27-21(26)25-13-9-18(10-14-25)24-11-3-2-4-12-24/h5-8,18H,2-4,9-14H2,1H3
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54n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462816
PNG
(CHEMBL4246071)
Show SMILES Cc1sc(nc1OCCN1CCCCC1)-c1ccncc1
Show InChI InChI=1S/C16H21N3OS/c1-13-15(20-12-11-19-9-3-2-4-10-19)18-16(21-13)14-5-7-17-8-6-14/h5-8H,2-4,9-12H2,1H3
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57n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462796
PNG
(CHEMBL4237493)
Show SMILES Cc1sc(nc1OCc1ccc(CN2CCCC2)cc1)-c1cnccn1
Show InChI InChI=1S/C20H22N4OS/c1-15-19(23-20(26-15)18-12-21-8-9-22-18)25-14-17-6-4-16(5-7-17)13-24-10-2-3-11-24/h4-9,12H,2-3,10-11,13-14H2,1H3
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72n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462795
PNG
(CHEMBL4249154)
Show SMILES Cc1sc(nc1OCCCN1CCCCC1)-c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C20H24N2O3S/c1-14-18(24-11-5-10-22-8-3-2-4-9-22)21-19(26-14)15-6-7-17-16(12-15)13-25-20(17)23/h6-7,12H,2-5,8-11,13H2,1H3
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87n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462826
PNG
(CHEMBL4240282)
Show SMILES Cc1sc(nc1OC(=O)N1CCC(CC1)N1CCCCC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H26ClN3O2S/c1-15-19(23-20(28-15)16-6-5-7-17(22)14-16)27-21(26)25-12-8-18(9-13-25)24-10-3-2-4-11-24/h5-7,14,18H,2-4,8-13H2,1H3
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98n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462815
PNG
(CHEMBL4239832)
Show SMILES Cc1sc(nc1OCCN1CCCC1)-c1ccncc1
Show InChI InChI=1S/C15H19N3OS/c1-12-14(19-11-10-18-8-2-3-9-18)17-15(20-12)13-4-6-16-7-5-13/h4-7H,2-3,8-11H2,1H3
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100n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462814
PNG
(CHEMBL4244051)
Show SMILES CN(C)CCCOc1nc(sc1C)-c1ccncc1
Show InChI InChI=1S/C14H19N3OS/c1-11-13(18-10-4-9-17(2)3)16-14(19-11)12-5-7-15-8-6-12/h5-8H,4,9-10H2,1-3H3
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110n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50462834
PNG
(CHEMBL4250218)
Show SMILES Clc1ccc(Cc2noc(CCN3CCCCC3)n2)cc1
Show InChI InChI=1S/C16H20ClN3O/c17-14-6-4-13(5-7-14)12-15-18-16(21-19-15)8-11-20-9-2-1-3-10-20/h4-7H,1-3,8-12H2
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126n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from histamine H3 receptor in rat brain membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462782
PNG
(CHEMBL4249185)
Show SMILES Cc1sc(nc1OCCCN1CCCCC1)-c1ccncc1
Show InChI InChI=1S/C17H23N3OS/c1-14-16(19-17(22-14)15-6-8-18-9-7-15)21-13-5-12-20-10-3-2-4-11-20/h6-9H,2-5,10-13H2,1H3
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130n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462822
PNG
(CHEMBL4249555)
Show SMILES CCc1sc(nc1OCCCN1CCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H23ClN2OS/c1-2-16-17(22-13-5-12-21-10-3-4-11-21)20-18(23-16)14-6-8-15(19)9-7-14/h6-9H,2-5,10-13H2,1H3
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170n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462820
PNG
(CHEMBL4242041)
Show SMILES Cc1sc(nc1OCc1ccc(CN2CCCC2)cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N3OS/c1-17-22(25-23(28-17)21-10-8-18(14-24)9-11-21)27-16-20-6-4-19(5-7-20)15-26-12-2-3-13-26/h4-11H,2-3,12-13,15-16H2,1H3
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190n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462827
PNG
(CHEMBL4239651)
Show SMILES CCc1sc(nc1OCCCN1CCCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H25ClN2OS/c1-2-17-18(23-14-6-13-22-11-4-3-5-12-22)21-19(24-17)15-7-9-16(20)10-8-15/h7-10H,2-6,11-14H2,1H3
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200n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462806
PNG
(CHEMBL4248125)
Show SMILES Cc1sc(nc1OCCN1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C17H22N2OS/c1-14-16(20-13-12-19-10-6-3-7-11-19)18-17(21-14)15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-13H2,1H3
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200n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462780
PNG
(CHEMBL4237257)
Show SMILES CN1CCC(COc2nc(sc2C)-c2ccccc2)CC1
Show InChI InChI=1S/C17H22N2OS/c1-13-16(20-12-14-8-10-19(2)11-9-14)18-17(21-13)15-6-4-3-5-7-15/h3-7,14H,8-12H2,1-2H3
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220n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462828
PNG
(CHEMBL4244358)
Show SMILES CN(C)CCCOc1nc(sc1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H19ClN2OS/c1-11-14(19-10-4-9-18(2)3)17-15(20-11)12-5-7-13(16)8-6-12/h5-8H,4,9-10H2,1-3H3
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280n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462793
PNG
(CHEMBL4241891)
Show SMILES Cc1sc(nc1OCCCN1CCCCC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H23ClN2OS/c1-14-17(22-12-6-11-21-9-3-2-4-10-21)20-18(23-14)15-7-5-8-16(19)13-15/h5,7-8,13H,2-4,6,9-12H2,1H3
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300n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462783
PNG
(CHEMBL4243443)
Show SMILES CCc1sc(nc1OCCCN1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C19H26N2OS/c1-2-17-18(20-19(23-17)16-10-5-3-6-11-16)22-15-9-14-21-12-7-4-8-13-21/h3,5-6,10-11H,2,4,7-9,12-15H2,1H3
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380n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462794
PNG
(CHEMBL4247908)
Show SMILES Cc1sc(nc1OCCCN1CCCC1)-c1ccncc1
Show InChI InChI=1S/C16H21N3OS/c1-13-15(20-12-4-11-19-9-2-3-10-19)18-16(21-13)14-5-7-17-8-6-14/h5-8H,2-4,9-12H2,1H3
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410n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462813
PNG
(CHEMBL4248204)
Show SMILES Cc1sc(nc1OCCCN1CCCC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN2OS/c1-13-16(21-11-5-10-20-8-2-3-9-20)19-17(22-13)14-6-4-7-15(18)12-14/h4,6-7,12H,2-3,5,8-11H2,1H3
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430n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462819
PNG
(CHEMBL4241181)
Show SMILES Cc1sc(nc1OCc1ccc(CN2CCCCC2)cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N3OS/c1-18-23(26-24(29-18)22-11-9-19(15-25)10-12-22)28-17-21-7-5-20(6-8-21)16-27-13-3-2-4-14-27/h5-12H,2-4,13-14,16-17H2,1H3
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450n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462825
PNG
(CHEMBL4246917)
Show SMILES Cc1sc(nc1OCCCN1CCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H21ClN2OS/c1-13-16(21-12-4-11-20-9-2-3-10-20)19-17(22-13)14-5-7-15(18)8-6-14/h5-8H,2-4,9-12H2,1H3
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450n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462824
PNG
(CHEMBL4247724)
Show SMILES Cc1sc(nc1OCCCN1CCCC1)-c1ccccc1
Show InChI InChI=1S/C17H22N2OS/c1-14-16(20-13-7-12-19-10-5-6-11-19)18-17(21-14)15-8-3-2-4-9-15/h2-4,8-9H,5-7,10-13H2,1H3
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520n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462812
PNG
(CHEMBL4238192)
Show SMILES Cc1sc(nc1OCCN1CCCCC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN2OS/c1-13-16(21-11-10-20-8-3-2-4-9-20)19-17(22-13)14-6-5-7-15(18)12-14/h5-7,12H,2-4,8-11H2,1H3
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600n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462790
PNG
(CHEMBL4237702)
Show SMILES Cc1sc(nc1OCCCN1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C18H24N2OS/c1-15-17(19-18(22-15)16-9-4-2-5-10-16)21-14-8-13-20-11-6-3-7-12-20/h2,4-5,9-10H,3,6-8,11-14H2,1H3
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870n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462832
PNG
(CHEMBL4251200)
Show SMILES Cc1sc(nc1OCCCN1CCCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H23ClN2OS/c1-14-17(22-13-5-12-21-10-3-2-4-11-21)20-18(23-14)15-6-8-16(19)9-7-15/h6-9H,2-5,10-13H2,1H3
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930n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462818
PNG
(CHEMBL4250482)
Show SMILES Cc1sc(nc1OCCCN1CCCCC1)-c1cnccn1
Show InChI InChI=1S/C16H22N4OS/c1-13-15(19-16(22-13)14-12-17-6-7-18-14)21-11-5-10-20-8-3-2-4-9-20/h6-7,12H,2-5,8-11H2,1H3
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1.10E+3n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462779
PNG
(CHEMBL4245173)
Show SMILES COc1cc(Nc2nnc(CCN3CCCCC3)o2)cc(OC)c1
Show InChI InChI=1S/C17H24N4O3/c1-22-14-10-13(11-15(12-14)23-2)18-17-20-19-16(24-17)6-9-21-7-4-3-5-8-21/h10-12H,3-9H2,1-2H3,(H,18,20)
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1.10E+3n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462797
PNG
(CHEMBL4239599)
Show SMILES C(CN1CCCCC1)Cc1nnc(Nc2ccccc2)o1
Show InChI InChI=1S/C16H22N4O/c1-3-8-14(9-4-1)17-16-19-18-15(21-16)10-7-13-20-11-5-2-6-12-20/h1,3-4,8-9H,2,5-7,10-13H2,(H,17,19)
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1.30E+3n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462829
PNG
(CHEMBL4248945)
Show SMILES FC(F)(F)Oc1ccc(Nc2nnc(CCN3CCCCC3)o2)cc1
Show InChI InChI=1S/C16H19F3N4O2/c17-16(18,19)25-13-6-4-12(5-7-13)20-15-22-21-14(24-15)8-11-23-9-2-1-3-10-23/h4-7H,1-3,8-11H2,(H,20,22)
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1.30E+3n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462799
PNG
(CHEMBL4240048)
Show SMILES Clc1ccc(Nc2nnc(CCN3CCCCC3)o2)cc1
Show InChI InChI=1S/C15H19ClN4O/c16-12-4-6-13(7-5-12)17-15-19-18-14(21-15)8-11-20-9-2-1-3-10-20/h4-7H,1-3,8-11H2,(H,17,19)
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1.60E+3n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462788
PNG
(CHEMBL4247438)
Show SMILES COc1ccc(Nc2nnc(CCN3CCCCC3)o2)cc1
Show InChI InChI=1S/C16H22N4O2/c1-21-14-7-5-13(6-8-14)17-16-19-18-15(22-16)9-12-20-10-3-2-4-11-20/h5-8H,2-4,9-12H2,1H3,(H,17,19)
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1.60E+3n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462784
PNG
(CHEMBL4247628)
Show SMILES C(Cc1nnc(Nc2ccccc2)o1)N1CCCCC1
Show InChI InChI=1S/C15H20N4O/c1-3-7-13(8-4-1)16-15-18-17-14(20-15)9-12-19-10-5-2-6-11-19/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,18)
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2.00E+3n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462817
PNG
(CHEMBL4246212)
Show SMILES Cc1sc(nc1OCCN1CCCC1)-c1cnccn1
Show InChI InChI=1S/C14H18N4OS/c1-11-13(19-9-8-18-6-2-3-7-18)17-14(20-11)12-10-15-4-5-16-12/h4-5,10H,2-3,6-9H2,1H3
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2.10E+3n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462804
PNG
(CHEMBL4238477)
Show SMILES CN(C)CCCOc1nc(sc1C)-c1ccccc1
Show InChI InChI=1S/C15H20N2OS/c1-12-14(18-11-7-10-17(2)3)16-15(19-12)13-8-5-4-6-9-13/h4-6,8-9H,7,10-11H2,1-3H3
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4.10E+3n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462787
PNG
(CHEMBL4250163)
Show SMILES CN1CCC(CC1)c1nnc(Nc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C14H17ClN4O/c1-19-8-6-10(7-9-19)13-17-18-14(20-13)16-12-4-2-11(15)3-5-12/h2-5,10H,6-9H2,1H3,(H,16,18)
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>5.00E+3n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462823
PNG
(CHEMBL4243382)
Show SMILES CN1CCC(CC1)c1nnc(Nc2ccccc2)o1
Show InChI InChI=1S/C14H18N4O/c1-18-9-7-11(8-10-18)13-16-17-14(19-13)15-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,17)
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>5.00E+3n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462789
PNG
(CHEMBL4242630)
Show SMILES CCN(CC)CCCNC(=O)c1nc(no1)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H24N4O3/c1-4-21(5-2)12-6-11-18-16(22)17-19-15(20-24-17)13-7-9-14(23-3)10-8-13/h7-10H,4-6,11-12H2,1-3H3,(H,18,22)
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>5.00E+3n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462801
PNG
(CHEMBL4237968)
Show SMILES COc1ccc(Nc2nnc(o2)C2CCN(C)CC2)cc1
Show InChI InChI=1S/C15H20N4O2/c1-19-9-7-11(8-10-19)14-17-18-15(21-14)16-12-3-5-13(20-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,16,18)
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>5.00E+3n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462803
PNG
(CHEMBL4246450)
Show SMILES CCN(CC)CCCNC(=O)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C16H22N4O2/c1-3-20(4-2)12-8-11-17-15(21)16-18-14(19-22-16)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,21)
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>5.00E+3n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
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