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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50139410'   
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))
BDBM50139410
PNG
((6-{2-[2-((2R,6S)-2,6-Dimethyl-piperidin-1-yl)-eth...)
Show SMILES C[C@H]1CCC[C@@H](C)N1CCc1cc2cc(ccc2o1)-c1ccc(cn1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H33N3O3/c1-19-4-3-5-20(2)30(19)11-10-24-17-23-16-21(7-9-26(23)33-24)25-8-6-22(18-28-25)27(31)29-12-14-32-15-13-29/h6-9,16-20H,3-5,10-15H2,1-2H3/t19-,20+
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5.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50139410
PNG
((6-{2-[2-((2R,6S)-2,6-Dimethyl-piperidin-1-yl)-eth...)
Show SMILES C[C@H]1CCC[C@@H](C)N1CCc1cc2cc(ccc2o1)-c1ccc(cn1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H33N3O3/c1-19-4-3-5-20(2)30(19)11-10-24-17-23-16-21(7-9-26(23)33-24)25-8-6-22(18-28-25)27(31)29-12-14-32-15-13-29/h6-9,16-20H,3-5,10-15H2,1-2H3/t19-,20+
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5.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139410
PNG
((6-{2-[2-((2R,6S)-2,6-Dimethyl-piperidin-1-yl)-eth...)
Show SMILES C[C@H]1CCC[C@@H](C)N1CCc1cc2cc(ccc2o1)-c1ccc(cn1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H33N3O3/c1-19-4-3-5-20(2)30(19)11-10-24-17-23-16-21(7-9-26(23)33-24)25-8-6-22(18-28-25)27(31)29-12-14-32-15-13-29/h6-9,16-20H,3-5,10-15H2,1-2H3/t19-,20+
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45n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes


Bioorg Med Chem Lett 14: 689-93 (2004)


BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139410
PNG
((6-{2-[2-((2R,6S)-2,6-Dimethyl-piperidin-1-yl)-eth...)
Show SMILES C[C@H]1CCC[C@@H](C)N1CCc1cc2cc(ccc2o1)-c1ccc(cn1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H33N3O3/c1-19-4-3-5-20(2)30(19)11-10-24-17-23-16-21(7-9-26(23)33-24)25-8-6-22(18-28-25)27(31)29-12-14-32-15-13-29/h6-9,16-20H,3-5,10-15H2,1-2H3/t19-,20+
PDB

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PubMed
45n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency of the compound was determined by displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes


Bioorg Med Chem Lett 14: 689-93 (2004)


BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair