BDBM50080569 CHEMBL121611::N-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-N'-phenethyl-propane-1,3-diamine

SMILES: Fc1ccc(cc1)C(OCCNCCCNCCc1ccccc1)c1ccc(F)cc1

InChI Key: InChIKey=AFTYGKFAHDIZJA-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 = 50080569   

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))	BDBM50080569 (CHEMBL121611 | N-{2-[Bis-(4-fluoro-phenyl)-methoxy...) Show SMILES Fc1ccc(cc1)C(OCCNCCCNCCc1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C26H30F2N2O/c27-24-11-7-22(8-12-24)26(23-9-13-25(28)14-10-23)31-20-19-30-17-4-16-29-18-15-21-5-2-1-3-6-21/h1-3,5-14,26,29-30H,4,15-20H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	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 at Dopamine transporter (DAT) expressed in HEK cells				J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50080569 (CHEMBL121611 | N-{2-[Bis-(4-fluoro-phenyl)-methoxy...) Show SMILES Fc1ccc(cc1)C(OCCNCCCNCCc1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C26H30F2N2O/c27-24-11-7-22(8-12-24)26(23-9-13-25(28)14-10-23)31-20-19-30-17-4-16-29-18-15-21-5-2-1-3-6-21/h1-3,5-14,26,29-30H,4,15-20H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	82	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 norepinephrine transporter (NET) expressed in HEK cells				J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50080569 (CHEMBL121611 | N-{2-[Bis-(4-fluoro-phenyl)-methoxy...) Show SMILES Fc1ccc(cc1)C(OCCNCCCNCCc1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C26H30F2N2O/c27-24-11-7-22(8-12-24)26(23-9-13-25(28)14-10-23)31-20-19-30-17-4-16-29-18-15-21-5-2-1-3-6-21/h1-3,5-14,26,29-30H,4,15-20H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	125	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 serotonin transporter (SERT) expressed in HEK cells				J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50080569 (CHEMBL121611 | N-{2-[Bis-(4-fluoro-phenyl)-methoxy...) Show SMILES Fc1ccc(cc1)C(OCCNCCCNCCc1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C26H30F2N2O/c27-24-11-7-22(8-12-24)26(23-9-13-25(28)14-10-23)31-20-19-30-17-4-16-29-18-15-21-5-2-1-3-6-21/h1-3,5-14,26,29-30H,4,15-20H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	249	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 uptake in HEK cells expressing serotonin transporter				J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50080569 (CHEMBL121611 | N-{2-[Bis-(4-fluoro-phenyl)-methoxy...) Show SMILES Fc1ccc(cc1)C(OCCNCCCNCCc1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C26H30F2N2O/c27-24-11-7-22(8-12-24)26(23-9-13-25(28)14-10-23)31-20-19-30-17-4-16-29-18-15-21-5-2-1-3-6-21/h1-3,5-14,26,29-30H,4,15-20H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake in HEK cells expressing dopamine transporter				J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50080569 (CHEMBL121611 | N-{2-[Bis-(4-fluoro-phenyl)-methoxy...) Show SMILES Fc1ccc(cc1)C(OCCNCCCNCCc1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C26H30F2N2O/c27-24-11-7-22(8-12-24)26(23-9-13-25(28)14-10-23)31-20-19-30-17-4-16-29-18-15-21-5-2-1-3-6-21/h1-3,5-14,26,29-30H,4,15-20H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]- NE uptake in HEK cells expressing norepinephrine transporter				J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ
					More data for this Ligand-Target Pair