BDBM50183120 CHEMBL378070::N-(2,4-dimethoxybenzyl)-N-isobutylpiperidin-4-amine fumaric acid salt

SMILES: COc1ccc(CN(CC(C)C)C2CCNCC2)c(OC)c1

InChI Key: InChIKey=PYFRGRZTGZUAMU-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50183120   

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 serotonin transporter (Homo sapiens (Human))	BDBM50183120 (CHEMBL378070 | N-(2,4-dimethoxybenzyl)-N-isobutylp...) Show SMILES COc1ccc(CN(CC(C)C)C2CCNCC2)c(OC)c1 Show InChI InChI=1S/C18H30N2O2/c1-14(2)12-20(16-7-9-19-10-8-16)13-15-5-6-17(21-3)11-18(15)22-4/h5-6,11,14,16,19H,7-10,12-13H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50183120 (CHEMBL378070 | N-(2,4-dimethoxybenzyl)-N-isobutylp...) Show SMILES COc1ccc(CN(CC(C)C)C2CCNCC2)c(OC)c1 Show InChI InChI=1S/C18H30N2O2/c1-14(2)12-20(16-7-9-19-10-8-16)13-15-5-6-17(21-3)11-18(15)22-4/h5-6,11,14,16,19H,7-10,12-13H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair