BDBM50294277 CHEMBL560049::rac-3-(piperidin-4-yl(2,3,5-trichlorophenoxy)methyl)pyridine

SMILES: Clc1cc(Cl)c(Cl)c(OC(C2CCNCC2)c2cccnc2)c1

InChI Key: InChIKey=JPUDXOCAZQSFHB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50294277   

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))	BDBM50294277 (CHEMBL560049 | rac-3-(piperidin-4-yl(2,3,5-trichlo...) Show SMILES Clc1cc(Cl)c(Cl)c(OC(C2CCNCC2)c2cccnc2)c1 Show InChI InChI=1S/C17H17Cl3N2O/c18-13-8-14(19)16(20)15(9-13)23-17(11-3-6-21-7-4-11)12-2-1-5-22-10-12/h1-2,5,8-11,17,21H,3-4,6-7H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50294277 (CHEMBL560049 | rac-3-(piperidin-4-yl(2,3,5-trichlo...) Show SMILES Clc1cc(Cl)c(Cl)c(OC(C2CCNCC2)c2cccnc2)c1 Show InChI InChI=1S/C17H17Cl3N2O/c18-13-8-14(19)16(20)15(9-13)23-17(11-3-6-21-7-4-11)12-2-1-5-22-10-12/h1-2,5,8-11,17,21H,3-4,6-7H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	215	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