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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 = 'BDBM50139389'   
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))
BDBM50139389
PNG
(4-{2-[2-(2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofur...)
Show SMILES CC1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3
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0.950n/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))
BDBM50139389
PNG
(4-{2-[2-(2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofur...)
Show SMILES CC1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3
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0.955n/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))
BDBM50139389
PNG
(4-{2-[2-(2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofur...)
Show SMILES CC1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3
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6.5n/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))
BDBM50139389
PNG
(4-{2-[2-(2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofur...)
Show SMILES CC1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3
PDB

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PubMed
6.5n/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