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Compile Data Set for Download or QSAR

Found 669 hits with Last Name = 'conner' and Initial = 'se'   
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))
BDBM50217410
PNG
(CHEMBL105762)
Show SMILES C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H26N2O/c1-17-4-5-18(2)24(17)14-3-15-25-22-12-10-21(11-13-22)20-8-6-19(16-23)7-9-20/h6-13,17-18H,3-5,14-15H2,1-2H3/t17-,18-/m1/s1
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0.676n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119704
PNG
(CHEMBL104809 | N-{(S)-1-[3-(4-Cyclopropanecarbonyl...)
Show SMILES Fc1cccc(c1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C23H27FN2O4S/c24-19-3-1-4-22(15-19)31(28,29)25-20-11-13-26(16-20)12-2-14-30-21-9-7-18(8-10-21)23(27)17-5-6-17/h1,3-4,7-10,15,17,20,25H,2,5-6,11-14,16H2/t20-/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 against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217412
PNG
(CHEMBL322873)
Show SMILES CC1CCCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C22H26N2O/c1-18-4-2-13-24(17-18)14-3-15-25-22-11-9-21(10-12-22)20-7-5-19(16-23)6-8-20/h5-12,18H,2-4,13-15,17H2,1H3
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1.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119707
PNG
(4-[3-(4-Hexanoyl-phenoxy)-propyl]-piperazine-1-car...)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCC)cc1
Show InChI InChI=1S/C22H34N2O4/c1-3-5-6-8-21(25)19-9-11-20(12-10-19)28-18-7-13-23-14-16-24(17-15-23)22(26)27-4-2/h9-12H,3-8,13-18H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards rats Histamine type 3 (H3) receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217416
PNG
(CHEMBL105515)
Show SMILES CC1CCCC(C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H28N2O/c1-18-5-3-6-19(2)25(18)15-4-16-26-23-13-11-22(12-14-23)21-9-7-20(17-24)8-10-21/h7-14,18-19H,3-6,15-16H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119721
PNG
(CHEMBL103027 | N-{(S)-1-[3-(4-Cyclopropanecarbonyl...)
Show SMILES Cc1cccc(c1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C24H30N2O4S/c1-18-4-2-5-23(16-18)31(28,29)25-21-12-14-26(17-21)13-3-15-30-22-10-8-20(9-11-22)24(27)19-6-7-19/h2,4-5,8-11,16,19,21,25H,3,6-7,12-15,17H2,1H3/t21-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119710
PNG
(CHEMBL104618 | N-{(S)-1-[3-(4-Cyclopropanecarbonyl...)
Show SMILES Fc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C23H27FN2O4S/c24-21-4-1-2-5-22(21)31(28,29)25-19-12-14-26(16-19)13-3-15-30-20-10-8-18(9-11-20)23(27)17-6-7-17/h1-2,4-5,8-11,17,19,25H,3,6-7,12-16H2/t19-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119735
PNG
(3-Cyano-N-{(S)-1-[3-(4-cyclopropanecarbonyl-phenox...)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C24H27N3O4S/c25-16-18-3-1-4-23(15-18)32(29,30)26-21-11-13-27(17-21)12-2-14-31-22-9-7-20(8-10-22)24(28)19-5-6-19/h1,3-4,7-10,15,19,21,26H,2,5-6,11-14,17H2/t21-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50240709
PNG
((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...)
Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r|
Show InChI InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119722
PNG
(CHEMBL107162 | N-{(S)-1-[3-(4-Cyclopropanecarbonyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C24H30N2O5S/c1-30-21-9-11-23(12-10-21)32(28,29)25-20-13-15-26(17-20)14-2-16-31-22-7-5-19(6-8-22)24(27)18-3-4-18/h5-12,18,20,25H,2-4,13-17H2,1H3/t20-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119705
PNG
(CHEMBL101691 | N-{(S)-1-[3-(4-Cyclopropanecarbonyl...)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H28N2O4S/c26-23(18-7-8-18)19-9-11-21(12-10-19)29-16-4-14-25-15-13-20(17-25)24-30(27,28)22-5-2-1-3-6-22/h1-3,5-6,9-12,18,20,24H,4,7-8,13-17H2/t20-/m0/s1
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119712
PNG
(3-Chloro-N-{(S)-1-[3-(4-cyclopropanecarbonyl-pheno...)
Show SMILES Clc1cccc(c1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C23H27ClN2O4S/c24-19-3-1-4-22(15-19)31(28,29)25-20-11-13-26(16-20)12-2-14-30-21-9-7-18(8-10-21)23(27)17-5-6-17/h1,3-4,7-10,15,17,20,25H,2,5-6,11-14,16H2/t20-/m0/s1
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119701
PNG
(CHEMBL104808 | N-{(S)-1-[3-(4-Cyclopropanecarbonyl...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C23H27FN2O4S/c24-19-6-10-22(11-7-19)31(28,29)25-20-12-14-26(16-20)13-1-15-30-21-8-4-18(5-9-21)23(27)17-2-3-17/h4-11,17,20,25H,1-3,12-16H2/t20-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119711
PNG
(2-Chloro-N-{(S)-1-[3-(4-cyclopropanecarbonyl-pheno...)
Show SMILES Clc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C23H27ClN2O4S/c24-21-4-1-2-5-22(21)31(28,29)25-19-12-14-26(16-19)13-3-15-30-20-10-8-18(9-11-20)23(27)17-6-7-17/h1-2,4-5,8-11,17,19,25H,3,6-7,12-16H2/t19-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119728
PNG
(4-Chloro-N-{(S)-1-[3-(4-cyclopropanecarbonyl-pheno...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C23H27ClN2O4S/c24-19-6-10-22(11-7-19)31(28,29)25-20-12-14-26(16-20)13-1-15-30-21-8-4-18(5-9-21)23(27)17-2-3-17/h4-11,17,20,25H,1-3,12-16H2/t20-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50404001
PNG
(CHEMBL2112451)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2ccc(cc2)C#N)cc1 |r|
Show InChI InChI=1S/C24H27N3O4S/c25-16-18-2-10-23(11-3-18)32(29,30)26-21-12-14-27(17-21)13-1-15-31-22-8-6-20(7-9-22)24(28)19-4-5-19/h2-3,6-11,19,21,26H,1,4-5,12-15,17H2/t21-/m0/s1
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217413
PNG
(CHEMBL2112461)
Show SMILES C[C@@]1(O)CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C21H24N2O2/c1-21(24)11-13-23(16-21)12-2-14-25-20-9-7-19(8-10-20)18-5-3-17(15-22)4-6-18/h3-10,24H,2,11-14,16H2,1H3/t21-/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119720
PNG
(CHEMBL107293 | N-{(S)-1-[3-(4-Cyclopropanecarbonyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C24H30N2O4S/c1-18-3-11-23(12-4-18)31(28,29)25-21-13-15-26(17-21)14-2-16-30-22-9-7-20(8-10-22)24(27)19-5-6-19/h3-4,7-12,19,21,25H,2,5-6,13-17H2,1H3/t21-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119702
PNG
(CHEMBL102925 | N-{(S)-1-[3-(4-Cyclopropanecarbonyl...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C25H32N2O4S/c1-2-19-4-12-24(13-5-19)32(29,30)26-22-14-16-27(18-22)15-3-17-31-23-10-8-21(9-11-23)25(28)20-6-7-20/h4-5,8-13,20,22,26H,2-3,6-7,14-18H2,1H3/t22-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119736
PNG
(4-Bromo-N-{(S)-1-[3-(4-cyclopropanecarbonyl-phenox...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C23H27BrN2O4S/c24-19-6-10-22(11-7-19)31(28,29)25-20-12-14-26(16-20)13-1-15-30-21-8-4-18(5-9-21)23(27)17-2-3-17/h4-11,17,20,25H,1-3,12-16H2/t20-/m0/s1
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5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119725
PNG
(4-tert-Butyl-N-{(S)-1-[3-(4-cyclopropanecarbonyl-p...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C27H36N2O4S/c1-27(2,3)22-9-13-25(14-10-22)34(31,32)28-23-15-17-29(19-23)16-4-18-33-24-11-7-21(8-12-24)26(30)20-5-6-20/h7-14,20,23,28H,4-6,15-19H2,1-3H3/t23-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119733
PNG
(CHEMBL102840 | N-{(S)-1-[3-(4-Acetyl-phenoxy)-prop...)
Show SMILES CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C22H25N3O4S/c1-17(26)19-5-7-21(8-6-19)29-14-2-12-25-13-11-20(16-25)24-30(27,28)22-9-3-18(15-23)4-10-22/h3-10,20,24H,2,11-14,16H2,1H3/t20-/m0/s1
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6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217096
PNG
(CHEMBL105267)
Show SMILES N[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C20H23N3O/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-23-12-10-19(22)15-23/h2-9,19H,1,10-13,15,22H2/t19-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217410
PNG
(CHEMBL105762)
Show SMILES C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H26N2O/c1-17-4-5-18(2)24(17)14-3-15-25-22-12-10-21(11-13-22)20-8-6-19(16-23)7-9-20/h6-13,17-18H,3-5,14-15H2,1-2H3/t17-,18-/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217149
PNG
(CHEMBL102984)
Show SMILES CC1CCCCN1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H26N2O/c1-18-5-2-3-14-24(18)15-4-16-25-22-12-10-21(11-13-22)20-8-6-19(17-23)7-9-20/h6-13,18H,2-5,14-16H2,1H3
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7.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217101
PNG
(CHEMBL25688)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C20H22N2O/c21-16-17-4-6-18(7-5-17)19-8-10-20(11-9-19)23-15-3-14-22-12-1-2-13-22/h4-11H,1-3,12-15H2
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7.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217103
PNG
(CHEMBL104669)
Show SMILES O[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C20H22N2O2/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-22-12-10-19(23)15-22/h2-9,19,23H,1,10-13,15H2/t19-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217150
PNG
(CHEMBL105967)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CCCNCC2)cc1
Show InChI InChI=1S/C21H25N3O/c22-17-18-3-5-19(6-4-18)20-7-9-21(10-8-20)25-16-2-14-24-13-1-11-23-12-15-24/h3-10,23H,1-2,11-16H2
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8.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217408
PNG
(CHEMBL106545)
Show SMILES CN[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C21H25N3O/c1-23-20-11-13-24(16-20)12-2-14-25-21-9-7-19(8-10-21)18-5-3-17(15-22)4-6-18/h3-10,20,23H,2,11-14,16H2,1H3/t20-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217411
PNG
(CHEMBL323562)
Show SMILES CC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C22H26N2O/c1-18-11-14-24(15-12-18)13-2-16-25-22-9-7-21(8-10-22)20-5-3-19(17-23)4-6-20/h3-10,18H,2,11-16H2,1H3
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9.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119698
PNG
(1-Methyl-1H-imidazole-4-sulfonic acid {(S)-1-[3-(4...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C21H28N4O4S/c1-24-14-20(22-15-24)30(27,28)23-18-9-11-25(13-18)10-2-12-29-19-7-5-17(6-8-19)21(26)16-3-4-16/h5-8,14-16,18,23H,2-4,9-13H2,1H3/t18-/m0/s1
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10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119730
PNG
(CHEMBL102929 | N-{(S)-1-[3-(4-Cyclopropanecarbonyl...)
Show SMILES Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C24H30N2O4S/c1-18-5-2-3-6-23(18)31(28,29)25-21-13-15-26(17-21)14-4-16-30-22-11-9-20(10-12-22)24(27)19-7-8-19/h2-3,5-6,9-12,19,21,25H,4,7-8,13-17H2,1H3/t21-/m0/s1
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11n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119708
PNG
(2-Cyano-N-{(S)-1-[3-(4-cyclopropanecarbonyl-phenox...)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2ccccc2C#N)cc1
Show InChI InChI=1S/C24H27N3O4S/c25-16-20-4-1-2-5-23(20)32(29,30)26-21-12-14-27(17-21)13-3-15-31-22-10-8-19(9-11-22)24(28)18-6-7-18/h1-2,4-5,8-11,18,21,26H,3,6-7,12-15,17H2/t21-/m0/s1
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11n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50240709
PNG
((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...)
Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r|
Show InChI InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1
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13n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217150
PNG
(CHEMBL105967)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CCCNCC2)cc1
Show InChI InChI=1S/C21H25N3O/c22-17-18-3-5-19(6-4-18)20-7-9-21(10-8-20)25-16-2-14-24-13-1-11-23-12-15-24/h3-10,23H,1-2,11-16H2
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13n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217411
PNG
(CHEMBL323562)
Show SMILES CC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C22H26N2O/c1-18-11-14-24(15-12-18)13-2-16-25-22-9-7-21(8-10-22)20-5-3-19(17-23)4-6-20/h3-10,18H,2,11-16H2,1H3
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217418
PNG
(CHEMBL421026)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CC3CNCC3C2)cc1
Show InChI InChI=1S/C22H25N3O/c23-12-17-2-4-18(5-3-17)19-6-8-22(9-7-19)26-11-1-10-25-15-20-13-24-14-21(20)16-25/h2-9,20-21,24H,1,10-11,13-16H2
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217413
PNG
(CHEMBL2112461)
Show SMILES C[C@@]1(O)CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C21H24N2O2/c1-21(24)11-13-23(16-21)12-2-14-25-20-9-7-19(8-10-20)18-5-3-17(15-22)4-6-18/h3-10,24H,2,11-14,16H2,1H3/t21-/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 rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217416
PNG
(CHEMBL105515)
Show SMILES CC1CCCC(C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H28N2O/c1-18-5-3-6-19(2)25(18)15-4-16-26-23-13-11-22(12-14-23)21-9-7-20(17-24)8-10-21/h7-14,18-19H,3-6,15-16H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50404002
PNG
(CHEMBL2112452)
Show SMILES OC(=O)CCNC(=O)N1C[C@@H]2C[C@H]1CN2CCCOc1ccc(cc1)C(=O)C1CC1
Show InChI InChI=1S/C22H29N3O5/c26-20(27)8-9-23-22(29)25-14-17-12-18(25)13-24(17)10-1-11-30-19-6-4-16(5-7-19)21(28)15-2-3-15/h4-7,15,17-18H,1-3,8-14H2,(H,23,29)(H,26,27)/t17-,18-/m0/s1
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119739
PNG
(CHEMBL102794 | {4-[3-((1S,4S)-5-Benzenesulfonyl-2,...)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2C[C@@H]3C[C@H]2CN3S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C24H28N2O4S/c27-24(18-7-8-18)19-9-11-22(12-10-19)30-14-4-13-25-16-21-15-20(25)17-26(21)31(28,29)23-5-2-1-3-6-23/h1-3,5-6,9-12,18,20-21H,4,7-8,13-17H2/t20-,21-/m0/s1
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217102
PNG
(CHEMBL318801)
Show SMILES O[C@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C20H22N2O2/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-22-12-10-19(23)15-22/h2-9,19,23H,1,10-13,15H2/t19-/m0/s1
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217149
PNG
(CHEMBL102984)
Show SMILES CC1CCCCN1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H26N2O/c1-18-5-2-3-14-24(18)15-4-16-25-22-12-10-21(11-13-22)20-8-6-19(17-23)7-9-20/h6-13,18H,2-5,14-16H2,1H3
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23n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217099
PNG
(CHEMBL106483)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C20H22N2O2/c21-16-17-2-4-18(5-3-17)19-6-8-20(9-7-19)24-13-1-10-22-11-14-23-15-12-22/h2-9H,1,10-15H2
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25n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217412
PNG
(CHEMBL322873)
Show SMILES CC1CCCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C22H26N2O/c1-18-4-2-13-24(17-18)14-3-15-25-22-11-9-21(10-12-22)20-7-5-19(16-23)6-8-20/h5-12,18H,2-4,13-15,17H2,1H3
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26n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217105
PNG
(CHEMBL320178)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C23H27N3O3/c1-2-28-23(27)26-15-13-25(14-16-26)12-3-17-29-22-10-8-21(9-11-22)20-6-4-19(18-24)5-7-20/h4-11H,2-3,12-17H2,1H3
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28n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50217415
PNG
(CHEMBL105669)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(cc2C)C#N)CC1
Show InChI InChI=1S/C24H29N3O3/c1-3-29-24(28)27-14-12-26(13-15-27)11-4-16-30-22-8-6-21(7-9-22)23-10-5-20(18-25)17-19(23)2/h5-10,17H,3-4,11-16H2,1-2H3
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28n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of human cortical histamine H1 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217408
PNG
(CHEMBL106545)
Show SMILES CN[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C21H25N3O/c1-23-20-11-13-24(16-20)12-2-14-25-21-9-7-19(8-10-21)18-5-3-17(15-22)4-6-18/h3-10,20,23H,2,11-14,16H2,1H3/t20-/m1/s1
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30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217330
PNG
(CHEMBL106596)
Show SMILES OC1CCCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C21H24N2O2/c22-15-17-4-6-18(7-5-17)19-8-10-21(11-9-19)25-14-2-13-23-12-1-3-20(24)16-23/h4-11,20,24H,1-3,12-14,16H2
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30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217414
PNG
(CHEMBL102416)
Show SMILES OC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C21H24N2O2/c22-16-17-2-4-18(5-3-17)19-6-8-21(9-7-19)25-15-1-12-23-13-10-20(24)11-14-23/h2-9,20,24H,1,10-15H2
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32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
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