null

SMILES: CC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1

InChI Key: InChIKey=PXUAIMJAHKAYPP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50297723   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297723 ((4-methylpiperidin-1-yl)(6-(3-(piperidin-1-yl)prop...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C25H34N2O2/c1-20-10-15-27(16-11-20)25(28)23-7-6-22-19-24(9-8-21(22)18-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-20H,2-5,10-17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50297723 ((4-methylpiperidin-1-yl)(6-(3-(piperidin-1-yl)prop...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C25H34N2O2/c1-20-10-15-27(16-11-20)25(28)23-7-6-22-19-24(9-8-21(22)18-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-20H,2-5,10-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50297723 ((4-methylpiperidin-1-yl)(6-(3-(piperidin-1-yl)prop...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C25H34N2O2/c1-20-10-15-27(16-11-20)25(28)23-7-6-22-19-24(9-8-21(22)18-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-20H,2-5,10-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50297723 ((4-methylpiperidin-1-yl)(6-(3-(piperidin-1-yl)prop...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C25H34N2O2/c1-20-10-15-27(16-11-20)25(28)23-7-6-22-19-24(9-8-21(22)18-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-20H,2-5,10-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50297723 ((4-methylpiperidin-1-yl)(6-(3-(piperidin-1-yl)prop...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C25H34N2O2/c1-20-10-15-27(16-11-20)25(28)23-7-6-22-19-24(9-8-21(22)18-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-20H,2-5,10-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297723 ((4-methylpiperidin-1-yl)(6-(3-(piperidin-1-yl)prop...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C25H34N2O2/c1-20-10-15-27(16-11-20)25(28)23-7-6-22-19-24(9-8-21(22)18-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-20H,2-5,10-17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50297723 ((4-methylpiperidin-1-yl)(6-(3-(piperidin-1-yl)prop...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C25H34N2O2/c1-20-10-15-27(16-11-20)25(28)23-7-6-22-19-24(9-8-21(22)18-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-20H,2-5,10-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair