BDBM50054721 (2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-2,5-dimethyl-piperazine::CHEMBL142518

SMILES: C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1

InChI Key: InChIKey=ANYGZQHMXQTJQV-CVEARBPZSA-N

Data: 5 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 5 hits for monomerid = 50054721   

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 (Rattus norvegicus (rat))	BDBM50054721 ((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...) Show SMILES C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1 Show InChI InChI=1S/C21H26F2N2O/c1-15-14-25(16(2)13-24-15)11-12-26-21(17-3-7-19(22)8-4-17)18-5-9-20(23)10-6-18/h3-10,15-16,21,24H,11-14H2,1-2H3/t15-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity against dopamine transporter using radioligand as [3H]GBR 12935				J Med Chem 39: 4704-16 (1997) Article DOI: 10.1021/jm960305h BindingDB Entry DOI: 10.7270/Q2QZ2BN6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50054721 ((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...) Show SMILES C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1 Show InChI InChI=1S/C21H26F2N2O/c1-15-14-25(16(2)13-24-15)11-12-26-21(17-3-7-19(22)8-4-17)18-5-9-20(23)10-6-18/h3-10,15-16,21,24H,11-14H2,1-2H3/t15-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of dopamine DA reuptake				J Med Chem 39: 4704-16 (1997) Article DOI: 10.1021/jm960305h BindingDB Entry DOI: 10.7270/Q2QZ2BN6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50054721 ((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...) Show SMILES C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1 Show InChI InChI=1S/C21H26F2N2O/c1-15-14-25(16(2)13-24-15)11-12-26-21(17-3-7-19(22)8-4-17)18-5-9-20(23)10-6-18/h3-10,15-16,21,24H,11-14H2,1-2H3/t15-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake at rat serotonin transporter				J Med Chem 39: 4704-16 (1997) Article DOI: 10.1021/jm960305h BindingDB Entry DOI: 10.7270/Q2QZ2BN6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50054721 ((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...) Show SMILES C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1 Show InChI InChI=1S/C21H26F2N2O/c1-15-14-25(16(2)13-24-15)11-12-26-21(17-3-7-19(22)8-4-17)18-5-9-20(23)10-6-18/h3-10,15-16,21,24H,11-14H2,1-2H3/t15-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Compound was tested for binding affinity against dopamine transporter using radioligand as [3H]-RTI 55				J Med Chem 39: 4704-16 (1997) Article DOI: 10.1021/jm960305h BindingDB Entry DOI: 10.7270/Q2QZ2BN6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50054721 ((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...) Show SMILES C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1 Show InChI InChI=1S/C21H26F2N2O/c1-15-14-25(16(2)13-24-15)11-12-26-21(17-3-7-19(22)8-4-17)18-5-9-20(23)10-6-18/h3-10,15-16,21,24H,11-14H2,1-2H3/t15-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity against sigma receptor using radioligand ([3H](+)-pentazocine) binding assay				J Med Chem 39: 4704-16 (1997) Article DOI: 10.1021/jm960305h BindingDB Entry DOI: 10.7270/Q2QZ2BN6
					More data for this Ligand-Target Pair