BDBM50294279 CHEMBL552046::rac-2-((2,3-dichlorophenoxy)(piperidin-4-yl)methyl)pyridine

SMILES: Clc1cccc(OC(C2CCNCC2)c2ccccn2)c1Cl

InChI Key: InChIKey=PHRPRBMCXLFXOY-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 = 50294279   

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))	BDBM50294279 (CHEMBL552046 | rac-2-((2,3-dichlorophenoxy)(piperi...) Show SMILES Clc1cccc(OC(C2CCNCC2)c2ccccn2)c1Cl Show InChI InChI=1S/C17H18Cl2N2O/c18-13-4-3-6-15(16(13)19)22-17(12-7-10-20-11-8-12)14-5-1-2-9-21-14/h1-6,9,12,17,20H,7-8,10-11H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	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))	BDBM50294279 (CHEMBL552046 | rac-2-((2,3-dichlorophenoxy)(piperi...) Show SMILES Clc1cccc(OC(C2CCNCC2)c2ccccn2)c1Cl Show InChI InChI=1S/C17H18Cl2N2O/c18-13-4-3-6-15(16(13)19)22-17(12-7-10-20-11-8-12)14-5-1-2-9-21-14/h1-6,9,12,17,20H,7-8,10-11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	353	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))	BDBM50294279 (CHEMBL552046 | rac-2-((2,3-dichlorophenoxy)(piperi...) Show SMILES Clc1cccc(OC(C2CCNCC2)c2ccccn2)c1Cl Show InChI InChI=1S/C17H18Cl2N2O/c18-13-4-3-6-15(16(13)19)22-17(12-7-10-20-11-8-12)14-5-1-2-9-21-14/h1-6,9,12,17,20H,7-8,10-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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