Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50062243'   

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))	BDBM50062243 (CHEMBL3397069) Show SMILES Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1 Show InChI InChI=1S/C31H31FN4O2/c32-24-11-12-27-25(20-24)26(21-33-27)22-13-18-34(19-14-22)15-6-7-17-36-30(37)29(23-8-2-1-3-9-23)28-10-4-5-16-35(28)31(36)38/h1-5,8-12,16,20-22,33H,6-7,13-15,17-19H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis				Eur J Med Chem 90: 21-32 (2015) Article DOI: 10.1016/j.ejmech.2014.10.069 BindingDB Entry DOI: 10.7270/Q2VQ34CB
					More data for this Ligand-Target Pair