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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50360888'   
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))
BDBM50360888
PNG
(CHEMBL1935111)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)CC1C |r,t:18|
Show InChI InChI=1S/C19H27N3O2/c1-14-13-18(23)20-21-19(14)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,23)/t14?,15-/m1/s1
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5.60n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 194-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.037
BindingDB Entry DOI: 10.7270/Q25Q4WJV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50360888
PNG
(CHEMBL1935111)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)CC1C |r,t:18|
Show InChI InChI=1S/C19H27N3O2/c1-14-13-18(23)20-21-19(14)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,23)/t14?,15-/m1/s1
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5.60n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 194-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.037
BindingDB Entry DOI: 10.7270/Q25Q4WJV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50360888
PNG
(CHEMBL1935111)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)CC1C |r,t:18|
Show InChI InChI=1S/C19H27N3O2/c1-14-13-18(23)20-21-19(14)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,23)/t14?,15-/m1/s1
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6.80n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 194-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.037
BindingDB Entry DOI: 10.7270/Q25Q4WJV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360888
PNG
(CHEMBL1935111)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)CC1C |r,t:18|
Show InChI InChI=1S/C19H27N3O2/c1-14-13-18(23)20-21-19(14)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,23)/t14?,15-/m1/s1
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18n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 194-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.037
BindingDB Entry DOI: 10.7270/Q25Q4WJV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360888
PNG
(CHEMBL1935111)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)CC1C |r,t:18|
Show InChI InChI=1S/C19H27N3O2/c1-14-13-18(23)20-21-19(14)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,23)/t14?,15-/m1/s1
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18n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 194-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.037
BindingDB Entry DOI: 10.7270/Q25Q4WJV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360888
PNG
(CHEMBL1935111)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)CC1C |r,t:18|
Show InChI InChI=1S/C19H27N3O2/c1-14-13-18(23)20-21-19(14)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,23)/t14?,15-/m1/s1
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29n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 194-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.037
BindingDB Entry DOI: 10.7270/Q25Q4WJV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50360888
PNG
(CHEMBL1935111)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)CC1C |r,t:18|
Show InChI InChI=1S/C19H27N3O2/c1-14-13-18(23)20-21-19(14)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,23)/t14?,15-/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 194-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.037
BindingDB Entry DOI: 10.7270/Q25Q4WJV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50360888
PNG
(CHEMBL1935111)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)CC1C |r,t:18|
Show InChI InChI=1S/C19H27N3O2/c1-14-13-18(23)20-21-19(14)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,23)/t14?,15-/m1/s1
PDB

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n/an/an/an/a 1.40n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 194-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.037
BindingDB Entry DOI: 10.7270/Q25Q4WJV
More data for this
Ligand-Target Pair