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Compile Data Set for Download or QSAR

Found 159 hits with Last Name = 'vortherms' and Initial = 'ta'   
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))
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 H3 receptor


(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 H3 receptor


(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


(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 H4 receptor


(Rattus norvegicus (rat))
BDBM22566
PNG
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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2.70 -48.9n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6571-80 (2008)


Article DOI: 10.1021/jm8005959
BindingDB Entry DOI: 10.7270/Q24J0CD9
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Rattus norvegicus (rat))
BDBM26226
PNG
((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...)
Show SMILES [H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2 |r,t:9|
Show InChI InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m1/s1
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3.40 -48.3n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 7094-8 (2008)


Article DOI: 10.1021/jm8007618
BindingDB Entry DOI: 10.7270/Q2862DS6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(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 H4 receptor


(Rattus norvegicus (rat))
BDBM22566
PNG
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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4.70 -47.5n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 7094-8 (2008)


Article DOI: 10.1021/jm8007618
BindingDB Entry DOI: 10.7270/Q2862DS6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(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 H3 receptor


(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 H3 receptor


(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 H4 receptor


(Homo sapiens (Human))
BDBM26226
PNG
((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...)
Show SMILES [H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2 |r,t:9|
Show InChI InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m1/s1
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5.80 -47.0n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 7094-8 (2008)


Article DOI: 10.1021/jm8007618
BindingDB Entry DOI: 10.7270/Q2862DS6
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 H3 receptor


(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))
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 H3 receptor


(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


(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 H3 receptor


(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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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11.7n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Biochemistry 44: 8643-51 (2005)


Article DOI: 10.1021/bi050490d
BindingDB Entry DOI: 10.7270/Q2QN65BH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22566
PNG
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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12 -45.2n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6571-80 (2008)


Article DOI: 10.1021/jm8005959
BindingDB Entry DOI: 10.7270/Q24J0CD9
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22566
PNG
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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12 -45.2n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 7094-8 (2008)


Article DOI: 10.1021/jm8007618
BindingDB Entry DOI: 10.7270/Q2862DS6
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))
BDBM26226
PNG
((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...)
Show SMILES [H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2 |r,t:9|
Show InChI InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m1/s1
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13.5 -44.9n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 7094-8 (2008)


Article DOI: 10.1021/jm8007618
BindingDB Entry DOI: 10.7270/Q2862DS6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(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 H3 receptor


(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 H3 receptor


(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 H3 receptor


(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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50372321
PNG
(CHEMBL272988)
Show SMILES C[C@H]1CCCN1CCc1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H20N2/c1-12-5-4-9-17(12)10-8-14-11-13-6-2-3-7-15(13)16-14/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3/t12-/m0/s1
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18n/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


(Homo sapiens (Human))
BDBM50372334
PNG
(CHEMBL257235)
Show SMILES C[C@H]1CCCN1CCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O2/c1-11-3-2-9-14(11)10-8-12-4-6-13(7-5-12)15(16)17/h4-7,11H,2-3,8-10H2,1H3/t11-/m0/s1
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20n/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


(Homo sapiens (Human))
BDBM50372331
PNG
(CHEMBL404834)
Show SMILES C[C@@H]1CCCN1CCc1ccccc1O
Show InChI InChI=1S/C13H19NO/c1-11-5-4-9-14(11)10-8-12-6-2-3-7-13(12)15/h2-3,6-7,11,15H,4-5,8-10H2,1H3/t11-/m1/s1
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21n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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23.6n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Biochemistry 44: 8643-51 (2005)


Article DOI: 10.1021/bi050490d
BindingDB Entry DOI: 10.7270/Q2QN65BH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50372317
PNG
(CHEMBL271237)
Show SMILES Cc1oc(nc1CCN1CCCC1)-c1ccccc1
Show InChI InChI=1S/C16H20N2O/c1-13-15(9-12-18-10-5-6-11-18)17-16(19-13)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12H2,1H3
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26n/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


(Homo sapiens (Human))
BDBM50372313
PNG
(CHEMBL257911)
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-/m0/s1
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27n/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


(Homo sapiens (Human))
BDBM50372298
PNG
(CHEMBL402415)
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-/m0/s1
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28n/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


(Homo sapiens (Human))
BDBM50372293
PNG
(CHEMBL270410)
Show SMILES C(Cc1ccc2ccccc2c1)N1CCCC1
Show InChI InChI=1S/C16H19N/c1-2-6-16-13-14(7-8-15(16)5-1)9-12-17-10-3-4-11-17/h1-2,5-8,13H,3-4,9-12H2
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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))
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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30n/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


(Homo sapiens (Human))
BDBM50372327
PNG
(CHEMBL404912)
Show SMILES COc1ccccc1CCN1CCC[C@@H]1C
Show InChI InChI=1S/C14H21NO/c1-12-6-5-10-15(12)11-9-13-7-3-4-8-14(13)16-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3/t12-/m0/s1
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31n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86548
PNG
(CAS_83729-01-5 | NSC_128563 | Salvinorin A)
Show SMILES COC(=O)C1CC(OC(C)=O)C(=O)C2C1(C)CCC1C(=O)OC(CC21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3
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31.6n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Biochemistry 44: 8643-51 (2005)


Article DOI: 10.1021/bi050490d
BindingDB Entry DOI: 10.7270/Q2QN65BH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50372315
PNG
(CHEMBL257914)
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-/m0/s1
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32n/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


(Homo sapiens (Human))
BDBM50372340
PNG
(CHEMBL406698)
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-/m0/s1
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33n/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


(Homo sapiens (Human))
BDBM50372337
PNG
(CHEMBL402873)
Show SMILES C[C@@H]1CCCN1CCc1cccs1
Show InChI InChI=1S/C11H17NS/c1-10-4-2-7-12(10)8-6-11-5-3-9-13-11/h3,5,9-10H,2,4,6-8H2,1H3/t10-/m1/s1
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34n/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


(Homo sapiens (Human))
BDBM50372310
PNG
(CHEMBL408259)
Show SMILES CCc1ccc(CCN2CCC[C@H]2C)nc1
Show InChI InChI=1S/C14H22N2/c1-3-13-6-7-14(15-11-13)8-10-16-9-4-5-12(16)2/h6-7,11-12H,3-5,8-10H2,1-2H3/t12-/m1/s1
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34n/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


(Homo sapiens (Human))
BDBM50372302
PNG
(CHEMBL404375)
Show SMILES COc1ccccc1CCN1CCC[C@H]1C
Show InChI InChI=1S/C14H21NO/c1-12-6-5-10-15(12)11-9-13-7-3-4-8-14(13)16-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3/t12-/m1/s1
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35n/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))
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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35n/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 H4 receptor


(Homo sapiens (Human))
BDBM26229
PNG
(2-Aminopyrimidine analog., 4 | 4-[2-amino-6-(4-met...)
Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-4-2-12(11-17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)
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35 -42.6n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6571-80 (2008)


Article DOI: 10.1021/jm8005959
BindingDB Entry DOI: 10.7270/Q24J0CD9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
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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37n/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))
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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40n/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))
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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41n/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


(Homo sapiens (Human))
BDBM50372301
PNG
(CHEMBL272307)
Show SMILES COc1ccc(CCN2CCCC2)cc1
Show InChI InChI=1S/C13H19NO/c1-15-13-6-4-12(5-7-13)8-11-14-9-2-3-10-14/h4-7H,2-3,8-11H2,1H3
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41n/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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