BDBM50084340 CHEMBL417035::[1-(2-Benzhydryloxy-ethyl)-piperidin-3-ylmethyl]-[2-(4-fluoro-phenyl)-ethyl]-amine

SMILES: Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1

InChI Key: InChIKey=FECMCOWJDSNXAS-UHFFFAOYSA-N

Data: 3 KI  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 6 hits for monomerid = 50084340   

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 dopamine transporter (Homo sapiens (Human))	BDBM50084340 (CHEMBL417035 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1 Show InChI InChI=1S/C29H35FN2O/c30-28-15-13-24(14-16-28)17-18-31-22-25-8-7-19-32(23-25)20-21-33-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-16,25,29,31H,7-8,17-23H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084340 (CHEMBL417035 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1 Show InChI InChI=1S/C29H35FN2O/c30-28-15-13-24(14-16-28)17-18-31-22-25-8-7-19-32(23-25)20-21-33-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-16,25,29,31H,7-8,17-23H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity at the norepinephrine transporter was measured using [125I]RTI-55 as a radioligand				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084340 (CHEMBL417035 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1 Show InChI InChI=1S/C29H35FN2O/c30-28-15-13-24(14-16-28)17-18-31-22-25-8-7-19-32(23-25)20-21-33-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-16,25,29,31H,7-8,17-23H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter using [125I]RTI-55				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084340 (CHEMBL417035 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1 Show InChI InChI=1S/C29H35FN2O/c30-28-15-13-24(14-16-28)17-18-31-22-25-8-7-19-32(23-25)20-21-33-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-16,25,29,31H,7-8,17-23H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	364	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine reuptake in HEK293 cells expressing human dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084340 (CHEMBL417035 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1 Show InChI InChI=1S/C29H35FN2O/c30-28-15-13-24(14-16-28)17-18-31-22-25-8-7-19-32(23-25)20-21-33-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-16,25,29,31H,7-8,17-23H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]NE reuptake by human norepinephrine transporter expressed in HEK293 cells				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084340 (CHEMBL417035 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1 Show InChI InChI=1S/C29H35FN2O/c30-28-15-13-24(14-16-28)17-18-31-22-25-8-7-19-32(23-25)20-21-33-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-16,25,29,31H,7-8,17-23H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake in HEK293 cells expressing human serotonin transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair