BDBM50054720 (2S,5R)-1,4-Bis-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-2,5-dimethyl-piperazine::CHEMBL142337

SMILES: C[C@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=CBIYBJFMBUATEB-WMPKNSHKSA-N

Data: 4 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 4 hits for monomerid = 50054720   

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))	BDBM50054720 ((2S,5R)-1,4-Bis-{2-[bis-(4-fluoro-phenyl)-methoxy]...) Show SMILES C[C@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N2O2/c1-25-23-42(20-22-44-36(29-7-15-33(39)16-8-29)30-9-17-34(40)18-10-30)26(2)24-41(25)19-21-43-35(27-3-11-31(37)12-4-27)28-5-13-32(38)14-6-28/h3-18,25-26,35-36H,19-24H2,1-2H3/t25-,26+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	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 dopamine transporter (Rattus norvegicus (rat))	BDBM50054720 ((2S,5R)-1,4-Bis-{2-[bis-(4-fluoro-phenyl)-methoxy]...) Show SMILES C[C@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N2O2/c1-25-23-42(20-22-44-36(29-7-15-33(39)16-8-29)30-9-17-34(40)18-10-30)26(2)24-41(25)19-21-43-35(27-3-11-31(37)12-4-27)28-5-13-32(38)14-6-28/h3-18,25-26,35-36H,19-24H2,1-2H3/t25-,26+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	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 serotonin transporter (Rattus norvegicus (rat))	BDBM50054720 ((2S,5R)-1,4-Bis-{2-[bis-(4-fluoro-phenyl)-methoxy]...) Show SMILES C[C@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N2O2/c1-25-23-42(20-22-44-36(29-7-15-33(39)16-8-29)30-9-17-34(40)18-10-30)26(2)24-41(25)19-21-43-35(27-3-11-31(37)12-4-27)28-5-13-32(38)14-6-28/h3-18,25-26,35-36H,19-24H2,1-2H3/t25-,26+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.24E+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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50054720 ((2S,5R)-1,4-Bis-{2-[bis-(4-fluoro-phenyl)-methoxy]...) Show SMILES C[C@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N2O2/c1-25-23-42(20-22-44-36(29-7-15-33(39)16-8-29)30-9-17-34(40)18-10-30)26(2)24-41(25)19-21-43-35(27-3-11-31(37)12-4-27)28-5-13-32(38)14-6-28/h3-18,25-26,35-36H,19-24H2,1-2H3/t25-,26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.64E+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 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