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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50139308'   
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


(Rattus norvegicus (rat))
BDBM50139308
PNG
((R)-2-Amino-1-{4-[3-(4-cyclopropanecarbonyl-phenox...)
Show SMILES C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C20H29N3O3/c1-15(21)20(25)23-12-10-22(11-13-23)9-2-14-26-18-7-5-17(6-8-18)19(24)16-3-4-16/h5-8,15-16H,2-4,9-14,21H2,1H3/t15-/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 towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139308
PNG
((R)-2-Amino-1-{4-[3-(4-cyclopropanecarbonyl-phenox...)
Show SMILES C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C20H29N3O3/c1-15(21)20(25)23-12-10-22(11-13-23)9-2-14-26-18-7-5-17(6-8-18)19(24)16-3-4-16/h5-8,15-16H,2-4,9-14,21H2,1H3/t15-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing rat histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139308
PNG
((R)-2-Amino-1-{4-[3-(4-cyclopropanecarbonyl-phenox...)
Show SMILES C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C20H29N3O3/c1-15(21)20(25)23-12-10-22(11-13-23)9-2-14-26-18-7-5-17(6-8-18)19(24)16-3-4-16/h5-8,15-16H,2-4,9-14,21H2,1H3/t15-/m1/s1
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2.51n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to rat cortical histamine H3 receptor


J Med Chem 54: 26-53 (2011)


Article DOI: 10.1021/jm100064d
BindingDB Entry DOI: 10.7270/Q2VQ33RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50139308
PNG
((R)-2-Amino-1-{4-[3-(4-cyclopropanecarbonyl-phenox...)
Show SMILES C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C20H29N3O3/c1-15(21)20(25)23-12-10-22(11-13-23)9-2-14-26-18-7-5-17(6-8-18)19(24)16-3-4-16/h5-8,15-16H,2-4,9-14,21H2,1H3/t15-/m1/s1
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760n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50139308
PNG
((R)-2-Amino-1-{4-[3-(4-cyclopropanecarbonyl-phenox...)
Show SMILES C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C20H29N3O3/c1-15(21)20(25)23-12-10-22(11-13-23)9-2-14-26-18-7-5-17(6-8-18)19(24)16-3-4-16/h5-8,15-16H,2-4,9-14,21H2,1H3/t15-/m1/s1
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760n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human histamine H3 receptor on human colon cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50139308
PNG
((R)-2-Amino-1-{4-[3-(4-cyclopropanecarbonyl-phenox...)
Show SMILES C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C20H29N3O3/c1-15(21)20(25)23-12-10-22(11-13-23)9-2-14-26-18-7-5-17(6-8-18)19(24)16-3-4-16/h5-8,15-16H,2-4,9-14,21H2,1H3/t15-/m1/s1
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794n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


J Med Chem 54: 26-53 (2011)


Article DOI: 10.1021/jm100064d
BindingDB Entry DOI: 10.7270/Q2VQ33RV
More data for this
Ligand-Target Pair