BDBM50294281 CHEMBL562691::rac-2-((2,3-dichloro-4-methylphenoxy)(piperidin-4-yl)methyl)pyridine

SMILES: Cc1ccnc(c1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1

InChI Key: InChIKey=PWCRFPCCCWITCB-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 = 50294281   

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))	BDBM50294281 (CHEMBL562691 | rac-2-((2,3-dichloro-4-methylphenox...) Show SMILES Cc1ccnc(c1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1 Show InChI InChI=1S/C18H20Cl2N2O/c1-12-5-10-22-15(11-12)18(13-6-8-21-9-7-13)23-16-4-2-3-14(19)17(16)20/h2-5,10-11,13,18,21H,6-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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))	BDBM50294281 (CHEMBL562691 | rac-2-((2,3-dichloro-4-methylphenox...) Show SMILES Cc1ccnc(c1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1 Show InChI InChI=1S/C18H20Cl2N2O/c1-12-5-10-22-15(11-12)18(13-6-8-21-9-7-13)23-16-4-2-3-14(19)17(16)20/h2-5,10-11,13,18,21H,6-9H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	644	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))	BDBM50294281 (CHEMBL562691 | rac-2-((2,3-dichloro-4-methylphenox...) Show SMILES Cc1ccnc(c1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1 Show InChI InChI=1S/C18H20Cl2N2O/c1-12-5-10-22-15(11-12)18(13-6-8-21-9-7-13)23-16-4-2-3-14(19)17(16)20/h2-5,10-11,13,18,21H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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