Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50217569'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Histamine H3 receptor (Homo sapiens (Human))	BDBM50217569 (4-(3-(4-(piperidin-1-yl)but-1-ynyl)benzyl)morpholi...) Show SMILES C(CN1CCCCC1)C#Cc1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C20H28N2O/c1-3-10-21(11-4-1)12-5-2-7-19-8-6-9-20(17-19)18-22-13-15-23-16-14-22/h6,8-9,17H,1,3-5,10-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...				Bioorg Med Chem Lett 20: 6226-30 (2010) Article DOI: 10.1016/j.bmcl.2010.08.103 BindingDB Entry DOI: 10.7270/Q2CF9QB3
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50217569 (4-(3-(4-(piperidin-1-yl)but-1-ynyl)benzyl)morpholi...) Show SMILES C(CN1CCCCC1)C#Cc1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C20H28N2O/c1-3-10-21(11-4-1)12-5-2-7-19-8-6-9-20(17-19)18-22-13-15-23-16-14-22/h6,8-9,17H,1,3-5,10-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4413-25 (2009) Article DOI: 10.1016/j.ejmech.2009.06.007 BindingDB Entry DOI: 10.7270/Q28S4Q7C
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50217569 (4-(3-(4-(piperidin-1-yl)but-1-ynyl)benzyl)morpholi...) Show SMILES C(CN1CCCCC1)C#Cc1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C20H28N2O/c1-3-10-21(11-4-1)12-5-2-7-19-8-6-9-20(17-19)18-22-13-15-23-16-14-22/h6,8-9,17H,1,3-5,10-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50217569 (4-(3-(4-(piperidin-1-yl)but-1-ynyl)benzyl)morpholi...) Show SMILES C(CN1CCCCC1)C#Cc1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C20H28N2O/c1-3-10-21(11-4-1)12-5-2-7-19-8-6-9-20(17-19)18-22-13-15-23-16-14-22/h6,8-9,17H,1,3-5,10-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development LLC Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 17: 4799-803 (2007) Article DOI: 10.1016/j.bmcl.2007.06.061 BindingDB Entry DOI: 10.7270/Q2F18ZFF
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50217569 (4-(3-(4-(piperidin-1-yl)but-1-ynyl)benzyl)morpholi...) Show SMILES C(CN1CCCCC1)C#Cc1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C20H28N2O/c1-3-10-21(11-4-1)12-5-2-7-19-8-6-9-20(17-19)18-22-13-15-23-16-14-22/h6,8-9,17H,1,3-5,10-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair