BDBM50294261 CHEMBL549761::rac-3-((2-ethoxyphenoxy)(piperidin-4-yl)methyl)pyridine

SMILES: CCOc1ccccc1OC(C1CCNCC1)c1cccnc1

InChI Key: InChIKey=XXHZUORXKGMGAL-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50294261   

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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50294261 (CHEMBL549761 | rac-3-((2-ethoxyphenoxy)(piperidin-...) Show SMILES CCOc1ccccc1OC(C1CCNCC1)c1cccnc1 Show InChI InChI=1S/C19H24N2O2/c1-2-22-17-7-3-4-8-18(17)23-19(15-9-12-20-13-10-15)16-6-5-11-21-14-16/h3-8,11,14-15,19-20H,2,9-10,12-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells				Bioorg Med Chem Lett 19: 2829-34 (2009) Article DOI: 10.1016/j.bmcl.2009.03.090 BindingDB Entry DOI: 10.7270/Q2HX1CQX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50294261 (CHEMBL549761 | rac-3-((2-ethoxyphenoxy)(piperidin-...) Show SMILES CCOc1ccccc1OC(C1CCNCC1)c1cccnc1 Show InChI InChI=1S/C19H24N2O2/c1-2-22-17-7-3-4-8-18(17)23-19(15-9-12-20-13-10-15)16-6-5-11-21-14-16/h3-8,11,14-15,19-20H,2,9-10,12-13H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 2829-34 (2009) Article DOI: 10.1016/j.bmcl.2009.03.090 BindingDB Entry DOI: 10.7270/Q2HX1CQX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50294261 (CHEMBL549761 | rac-3-((2-ethoxyphenoxy)(piperidin-...) Show SMILES CCOc1ccccc1OC(C1CCNCC1)c1cccnc1 Show InChI InChI=1S/C19H24N2O2/c1-2-22-17-7-3-4-8-18(17)23-19(15-9-12-20-13-10-15)16-6-5-11-21-14-16/h3-8,11,14-15,19-20H,2,9-10,12-13H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 2829-34 (2009) Article DOI: 10.1016/j.bmcl.2009.03.090 BindingDB Entry DOI: 10.7270/Q2HX1CQX
					More data for this Ligand-Target Pair