Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50054734'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium-dependent serotonin transporter (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 AffyNet	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