Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50082415'   

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))	BDBM50082415 (1-(2-fluorophenoxy)-3-spiro[1,3-dihydrobenzo[e]iso...) Show SMILES O[C@@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12 Show InChI InChI=1S/C25H26FNO3/c26-23-7-3-4-8-24(23)29-16-19(28)15-27-13-11-25(12-14-27)22-10-9-18-5-1-2-6-20(18)21(22)17-30-25/h1-10,19,28H,11-17H2/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Displacement of specific [3H]- citalopram binding to 5-HT uptake site in rat whole cortex				Bioorg Med Chem Lett 9: 3243-8 (1999) BindingDB Entry DOI: 10.7270/Q2W37WVB
					More data for this Ligand-Target Pair