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Compile Data Set for Download or QSAR

Found 172 hits with Last Name = 'nersesian' and Initial = 'dl'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200642
PNG
((S)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)naphtha...)
Show SMILES C[C@H]1CCCN1CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N2/c1-18-3-2-13-26(18)14-12-19-4-9-24-16-23(11-10-22(24)15-19)21-7-5-20(17-25)6-8-21/h4-11,15-16,18H,2-3,12-14H2,1H3/t18-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200641
PNG
(4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)naphthalen-...)
Show SMILES CC1CCCN1CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N |w:1.0|
Show InChI InChI=1S/C24H24N2/c1-18-3-2-13-26(18)14-12-19-4-9-24-16-23(11-10-22(24)15-19)21-7-5-20(17-25)6-8-21/h4-11,15-16,18H,2-3,12-14H2,1H3
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0.180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200646
PNG
(4'-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-biph...)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H24N2O/c1-17-4-2-13-23(17)14-3-15-24-21-11-9-20(10-12-21)19-7-5-18(16-22)6-8-19/h5-12,17H,2-4,13-15H2,1H3/t17-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200647
PNG
((R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)naphtha...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N2/c1-18-3-2-13-26(18)14-12-19-4-9-24-16-23(11-10-22(24)15-19)21-7-5-20(17-25)6-8-21/h4-11,15-16,18H,2-3,12-14H2,1H3/t18-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50372295
PNG
(CHEMBL429914)
Show SMILES C[C@@H]1CCCN1CCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H25NO/c1-17-6-5-14-21(17)15-13-18-9-11-20(12-10-18)22-16-19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3/t17-/m1/s1
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0.390n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200639
PNG
((S)-4-(6-(2-(2-(hydroxymethyl)pyrrolidin-1-yl)ethy...)
Show SMILES OC[C@@H]1CCCN1CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N2O/c25-16-19-4-6-20(7-5-19)22-10-9-21-14-18(3-8-23(21)15-22)11-13-26-12-1-2-24(26)17-27/h3-10,14-15,24,27H,1-2,11-13,17H2/t24-/m0/s1
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0.440n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50139391
PNG
((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200644
PNG
(4-(6-(2-(pyrrolidin-1-yl)ethyl)naphthalen-2-yl)ben...)
Show SMILES N#Cc1ccc(cc1)-c1ccc2cc(CCN3CCCC3)ccc2c1
Show InChI InChI=1S/C23H22N2/c24-17-19-4-6-20(7-5-19)22-10-9-21-15-18(3-8-23(21)16-22)11-14-25-12-1-2-13-25/h3-10,15-16H,1-2,11-14H2
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0.490n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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0.630n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200629
PNG
((S)-4-(6-(2-(2-(fluoromethyl)pyrrolidin-1-yl)ethyl...)
Show SMILES FC[C@@H]1CCCN1CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H23FN2/c25-16-24-2-1-12-27(24)13-11-18-3-8-23-15-22(10-9-21(23)14-18)20-6-4-19(17-26)5-7-20/h3-10,14-15,24H,1-2,11-13,16H2/t24-/m0/s1
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0.810n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200627
PNG
(4-(6-(2-(diethylamino)ethyl)naphthalen-2-yl)benzon...)
Show SMILES CCN(CC)CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N2/c1-3-25(4-2)14-13-18-5-10-23-16-22(12-11-21(23)15-18)20-8-6-19(17-24)7-9-20/h5-12,15-16H,3-4,13-14H2,1-2H3
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0.840n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200628
PNG
(4-(6-(2-(tert-butyl(methyl)amino)ethyl)naphthalen-...)
Show SMILES CN(CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N)C(C)(C)C
Show InChI InChI=1S/C24H26N2/c1-24(2,3)26(4)14-13-18-5-10-23-16-22(12-11-21(23)15-18)20-8-6-19(17-25)7-9-20/h5-12,15-16H,13-14H2,1-4H3
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1.09n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50200641
PNG
(4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)naphthalen-...)
Show SMILES CC1CCCN1CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N |w:1.0|
Show InChI InChI=1S/C24H24N2/c1-18-3-2-13-26(18)14-12-19-4-9-24-16-23(11-10-22(24)15-19)21-7-5-20(17-25)6-8-21/h4-11,15-16,18H,2-3,12-14H2,1H3
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1.24n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cortical membranes


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50372292
PNG
(CHEMBL441903)
Show SMILES C[C@@H]1CCCN1CCc1ccc2ccccc2c1
Show InChI InChI=1S/C17H21N/c1-14-5-4-11-18(14)12-10-15-8-9-16-6-2-3-7-17(16)13-15/h2-3,6-9,13-14H,4-5,10-12H2,1H3/t14-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200648
PNG
((R)-4-(6-(2-(3-hydroxypyrrolidin-1-yl)ethyl)naphth...)
Show SMILES O[C@@H]1CCN(CCc2ccc3cc(ccc3c2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C23H22N2O/c24-15-18-2-4-19(5-3-18)21-8-7-20-13-17(1-6-22(20)14-21)9-11-25-12-10-23(26)16-25/h1-8,13-14,23,26H,9-12,16H2/t23-/m1/s1
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1.56n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200636
PNG
(1-(4-(4-(piperidin-1-ylmethyl)phenyl)but-3-ynyl)pi...)
Show SMILES C(CN1CCCCC1)C#Cc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H30N2/c1-4-14-22(15-5-1)16-8-3-9-20-10-12-21(13-11-20)19-23-17-6-2-7-18-23/h10-13H,1-2,4-8,14-19H2
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50372290
PNG
(CHEMBL269951)
Show SMILES C[C@H]1CCCN1CCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H25NO/c1-17-6-5-14-21(17)15-13-18-9-11-20(12-10-18)22-16-19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3/t17-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50200646
PNG
(4'-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-biph...)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H24N2O/c1-17-4-2-13-23(17)14-3-15-24-21-11-9-20(10-12-21)19-7-5-18(16-22)6-8-19/h5-12,17H,2-4,13-15H2,1H3/t17-/m1/s1
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1.96n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cortical membranes


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200631
PNG
(4-(6-(2-(methyl(propyl)amino)ethyl)naphthalen-2-yl...)
Show SMILES CCCN(C)CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N2/c1-3-13-25(2)14-12-18-4-9-23-16-22(11-10-21(23)15-18)20-7-5-19(17-24)6-8-20/h4-11,15-16H,3,12-14H2,1-2H3
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2.09n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50372322
PNG
(CHEMBL271898)
Show SMILES COc1ccc(CCN2CCC[C@H]2C)cc1
Show InChI InChI=1S/C14H21NO/c1-12-4-3-10-15(12)11-9-13-5-7-14(16-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3/t12-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50200647
PNG
((R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)naphtha...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N2/c1-18-3-2-13-26(18)14-12-19-4-9-24-16-23(11-10-22(24)15-19)21-7-5-20(17-25)6-8-21/h4-11,15-16,18H,2-3,12-14H2,1H3/t18-/m1/s1
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2.48n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cortical membranes


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200638
PNG
(4-(6-(2-(dimethylamino)ethyl)naphthalen-2-yl)benzo...)
Show SMILES CN(C)CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H20N2/c1-23(2)12-11-16-3-8-21-14-20(10-9-19(21)13-16)18-6-4-17(15-22)5-7-18/h3-10,13-14H,11-12H2,1-2H3
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2.65n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200640
PNG
((R)-4-(6-(2-(2-(hydroxymethyl)pyrrolidin-1-yl)ethy...)
Show SMILES OC[C@H]1CCCN1CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N2O/c25-16-19-4-6-20(7-5-19)22-10-9-21-14-18(3-8-23(21)15-22)11-13-26-12-1-2-24(26)17-27/h3-10,14-15,24,27H,1-2,11-13,17H2/t24-/m1/s1
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2.89n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139391
PNG
((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1
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3.22n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cortical membranes


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200633
PNG
(4-(6-(2-(pyrrolidin-3-yl)ethyl)naphthalen-2-yl)ben...)
Show SMILES N#Cc1ccc(cc1)-c1ccc2cc(CCC3CCNC3)ccc2c1 |w:16.16|
Show InChI InChI=1S/C23H22N2/c24-15-18-4-6-20(7-5-18)22-10-9-21-13-17(3-8-23(21)14-22)1-2-19-11-12-25-16-19/h3-10,13-14,19,25H,1-2,11-12,16H2
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3.31n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50200642
PNG
((S)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)naphtha...)
Show SMILES C[C@H]1CCCN1CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N2/c1-18-3-2-13-26(18)14-12-19-4-9-24-16-23(11-10-22(24)15-19)21-7-5-20(17-25)6-8-21/h4-11,15-16,18H,2-3,12-14H2,1H3/t18-/m0/s1
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3.47n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cortical membranes


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50372294
PNG
(CHEMBL402187)
Show SMILES C[C@@H]1CCCN1CCc1nc(oc1C)-c1ccccc1
Show InChI InChI=1S/C17H22N2O/c1-13-7-6-11-19(13)12-10-16-14(2)20-17(18-16)15-8-4-3-5-9-15/h3-5,8-9,13H,6-7,10-12H2,1-2H3/t13-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50372295
PNG
(CHEMBL429914)
Show SMILES C[C@@H]1CCCN1CCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H25NO/c1-17-6-5-14-21(17)15-13-18-9-11-20(12-10-18)22-16-19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3/t17-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat recombinant histamine H3 receptor in rat cortical membranes


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200632
PNG
(4-(6-(2-(ethyl(isopropyl)amino)ethyl)naphthalen-2-...)
Show SMILES CCN(CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N)C(C)C
Show InChI InChI=1S/C24H26N2/c1-4-26(18(2)3)14-13-19-5-10-24-16-23(12-11-22(24)15-19)21-8-6-20(17-25)7-9-21/h5-12,15-16,18H,4,13-14H2,1-3H3
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4.62n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50372291
PNG
(CHEMBL271661)
Show SMILES C(Cc1ccc(OCc2ccccc2)cc1)N1CCCC1
Show InChI InChI=1S/C19H23NO/c1-2-6-18(7-3-1)16-21-19-10-8-17(9-11-19)12-15-20-13-4-5-14-20/h1-3,6-11H,4-5,12-16H2
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5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50372304
PNG
(CHEMBL257915)
Show SMILES C[C@@H]1CCCN1CCc1cccc(C)c1
Show InChI InChI=1S/C14H21N/c1-12-5-3-7-14(11-12)8-10-15-9-4-6-13(15)2/h3,5,7,11,13H,4,6,8-10H2,1-2H3/t13-/m1/s1
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5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50372303
PNG
(CHEMBL403052)
Show SMILES C[C@@H]1CCCN1CCc1ccc(C)cc1
Show InChI InChI=1S/C14H21N/c1-12-5-7-14(8-6-12)9-11-15-10-3-4-13(15)2/h5-8,13H,3-4,9-11H2,1-2H3/t13-/m1/s1
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5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50372290
PNG
(CHEMBL269951)
Show SMILES C[C@H]1CCCN1CCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H25NO/c1-17-6-5-14-21(17)15-13-18-9-11-20(12-10-18)22-16-19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3/t17-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat recombinant histamine H3 receptor in rat cortical membranes


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50372335
PNG
(CHEMBL402872)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)N(C)C
Show InChI InChI=1S/C15H24N2/c1-13-5-4-11-17(13)12-10-14-6-8-15(9-7-14)16(2)3/h6-9,13H,4-5,10-12H2,1-3H3/t13-/m1/s1
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6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50200644
PNG
(4-(6-(2-(pyrrolidin-1-yl)ethyl)naphthalen-2-yl)ben...)
Show SMILES N#Cc1ccc(cc1)-c1ccc2cc(CCN3CCCC3)ccc2c1
Show InChI InChI=1S/C23H22N2/c24-17-19-4-6-20(7-5-19)22-10-9-21-15-18(3-8-23(21)16-22)11-14-25-12-1-2-13-25/h3-10,15-16H,1-2,11-14H2
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6.42n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cortical membranes


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50372292
PNG
(CHEMBL441903)
Show SMILES C[C@@H]1CCCN1CCc1ccc2ccccc2c1
Show InChI InChI=1S/C17H21N/c1-14-5-4-11-18(14)12-10-15-8-9-16-6-2-3-7-17(16)13-15/h2-3,6-9,13-14H,4-5,10-12H2,1H3/t14-/m1/s1
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7.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat recombinant histamine H3 receptor in rat cortical membranes


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200634
PNG
((R)-4-(6-(2-(2-ethylpyrrolidin-1-yl)ethyl)naphthal...)
Show SMILES CC[C@@H]1CCCN1CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H26N2/c1-2-25-4-3-14-27(25)15-13-19-5-10-24-17-23(12-11-22(24)16-19)21-8-6-20(18-26)7-9-21/h5-12,16-17,25H,2-4,13-15H2,1H3/t25-/m1/s1
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8.61n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200637
PNG
((R)-4-(6-(2-(2-methylpiperidin-1-yl)ethyl)naphthal...)
Show SMILES C[C@@H]1CCCCN1CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H26N2/c1-19-4-2-3-14-27(19)15-13-20-5-10-25-17-24(12-11-23(25)16-20)22-8-6-21(18-26)7-9-22/h5-12,16-17,19H,2-4,13-15H2,1H3/t19-/m1/s1
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8.71n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50372323
PNG
(CHEMBL404532)
Show SMILES COc1ccc(CCN2CCC[C@@H]2C)cc1
Show InChI InChI=1S/C14H21NO/c1-12-4-3-10-15(12)11-9-13-5-7-14(16-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3/t12-/m0/s1
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8.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50200629
PNG
((S)-4-(6-(2-(2-(fluoromethyl)pyrrolidin-1-yl)ethyl...)
Show SMILES FC[C@@H]1CCCN1CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H23FN2/c25-16-24-2-1-12-27(24)13-11-18-3-8-23-15-22(10-9-21(23)14-18)20-6-4-19(17-26)5-7-20/h3-10,14-15,24H,1-2,11-13,16H2/t24-/m0/s1
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9.77n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cortical membranes


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50372305
PNG
(CHEMBL272141)
Show SMILES C[C@H]1CCCN1CCc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H25N/c1-12-10-13(2)16(14(3)11-12)7-9-17-8-5-6-15(17)4/h10-11,15H,5-9H2,1-4H3/t15-/m0/s1
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10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200635
PNG
(4-(6-(2-hydroxy-2-(methylamino)ethyl)naphthalen-2-...)
Show SMILES CNC(O)Cc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N |w:2.2|
Show InChI InChI=1S/C20H18N2O/c1-22-20(23)11-15-4-7-19-12-18(9-8-17(19)10-15)16-5-2-14(13-21)3-6-16/h2-10,12,20,22-23H,11H2,1H3
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10.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50372329
PNG
(CHEMBL270630)
Show SMILES C[C@@H]1CCCN1CCc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H25N/c1-12-10-13(2)16(14(3)11-12)7-9-17-8-5-6-15(17)4/h10-11,15H,5-9H2,1-4H3/t15-/m1/s1
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11n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50200639
PNG
((S)-4-(6-(2-(2-(hydroxymethyl)pyrrolidin-1-yl)ethy...)
Show SMILES OC[C@@H]1CCCN1CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N2O/c25-16-19-4-6-20(7-5-19)22-10-9-21-14-18(3-8-23(21)15-22)11-13-26-12-1-2-24(26)17-27/h3-10,14-15,24,27H,1-2,11-13,17H2/t24-/m0/s1
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11n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cortical membranes


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50372322
PNG
(CHEMBL271898)
Show SMILES COc1ccc(CCN2CCC[C@H]2C)cc1
Show InChI InChI=1S/C14H21NO/c1-12-4-3-10-15(12)11-9-13-5-7-14(16-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3/t12-/m1/s1
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12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat recombinant histamine H3 receptor in rat cortical membranes


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50200627
PNG
(4-(6-(2-(diethylamino)ethyl)naphthalen-2-yl)benzon...)
Show SMILES CCN(CC)CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N2/c1-3-25(4-2)14-13-18-5-10-23-16-22(12-11-21(23)15-18)20-8-6-19(17-24)7-9-20/h5-12,15-16H,3-4,13-14H2,1-2H3
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12.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cortical membranes


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50372296
PNG
(CHEMBL402377)
Show SMILES C[C@H]1CCCN1CCc1ccc2ccccc2c1
Show InChI InChI=1S/C17H21N/c1-14-5-4-11-18(14)12-10-15-8-9-16-6-2-3-7-17(16)13-15/h2-3,6-9,13-14H,4-5,10-12H2,1H3/t14-/m0/s1
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50372318
PNG
(CHEMBL402220)
Show SMILES COc1ccc2[nH]c(CCN3CCC[C@H]3C)cc2c1
Show InChI InChI=1S/C16H22N2O/c1-12-4-3-8-18(12)9-7-14-10-13-11-15(19-2)5-6-16(13)17-14/h5-6,10-12,17H,3-4,7-9H2,1-2H3/t12-/m1/s1
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50372324
PNG
(CHEMBL439429)
Show SMILES COc1cccc(CCN2CCC[C@H]2C)c1
Show InChI InChI=1S/C14H21NO/c1-12-5-4-9-15(12)10-8-13-6-3-7-14(11-13)16-2/h3,6-7,11-12H,4-5,8-10H2,1-2H3/t12-/m1/s1
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16n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50372339
PNG
(CHEMBL255141)
Show SMILES C[C@@H]1CCCN1CCc1ccns1
Show InChI InChI=1S/C10H16N2S/c1-9-3-2-7-12(9)8-5-10-4-6-11-13-10/h4,6,9H,2-3,5,7-8H2,1H3/t9-/m1/s1
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 355-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.067
BindingDB Entry DOI: 10.7270/Q2VM4D4V
More data for this
Ligand-Target Pair
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