BDBM50054734 (2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-2,5-dimethyl-4-((E)-3-phenyl-allyl)-piperazine::CHEMBL344083

SMILES: C[C@H]1CN(C\C=C\c2ccccc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=PAMWYTGSEASMOS-GOHAXOGJSA-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 = 50054734   

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
Monoamine transporters; Norepininephrine & dopamine (Rattus norvegicus (rat))	BDBM50054734 ((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C30H34F2N2O/c1-23-22-34(24(2)21-33(23)18-6-9-25-7-4-3-5-8-25)19-20-35-30(26-10-14-28(31)15-11-26)27-12-16-29(32)17-13-27/h3-17,23-24,30H,18-22H2,1-2H3/b9-6+/t23-,24+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	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
Monoamine transporters; Norepininephrine & dopamine (Rattus norvegicus (rat))	BDBM50054734 ((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C30H34F2N2O/c1-23-22-34(24(2)21-33(23)18-6-9-25-7-4-3-5-8-25)19-20-35-30(26-10-14-28(31)15-11-26)27-12-16-29(32)17-13-27/h3-17,23-24,30H,18-22H2,1-2H3/b9-6+/t23-,24+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	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 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
Monoamine transporters; Norepinephrine & serotonin (Rattus norvegicus (rat))	BDBM50054734 ((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C30H34F2N2O/c1-23-22-34(24(2)21-33(23)18-6-9-25-7-4-3-5-8-25)19-20-35-30(26-10-14-28(31)15-11-26)27-12-16-29(32)17-13-27/h3-17,23-24,30H,18-22H2,1-2H3/b9-6+/t23-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+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