Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50516865'   

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))	BDBM50516865 (CHEMBL4449982) Show SMILES Cc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O Show InChI InChI=1S/C32H37FN4O2/c1-22-9-11-23(12-10-22)30-29-8-2-3-17-36(29)32(39)37(31(30)38)18-5-4-15-35-16-6-7-24(21-35)27-20-34-28-14-13-25(33)19-26(27)28/h9-14,19-20,24,34H,2-8,15-18,21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	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 SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
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