Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50526017'   

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))	BDBM50526017 (CHEMBL4570910) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5ccccn5c4=O)C3)c2c1 Show InChI InChI=1S/C32H33FN4O3/c1-40-25-13-14-28-26(19-25)27(20-34-28)23-7-6-16-35(21-23)15-4-5-18-37-31(38)30(22-9-11-24(33)12-10-22)29-8-2-3-17-36(29)32(37)39/h2-3,8-14,17,19-20,23,34H,4-7,15-16,18,21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	192	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
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