Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50516864'   

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))	BDBM50516864 (CHEMBL4442394) Show SMILES Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4Cl)C3)c2c1 |(66.44,-55.06,;64.93,-55.37,;64.45,-56.83,;62.94,-57.13,;61.92,-55.98,;60.39,-55.97,;59.93,-54.5,;61.18,-53.61,;61.19,-52.07,;62.53,-51.31,;62.55,-49.77,;61.22,-48.98,;59.89,-49.74,;58.56,-48.96,;57.22,-49.73,;55.89,-48.95,;54.55,-49.71,;53.23,-48.93,;53.23,-47.39,;54.57,-46.63,;51.9,-46.61,;50.57,-47.38,;49.24,-46.61,;47.91,-47.38,;47.91,-48.92,;49.24,-49.69,;50.56,-48.92,;51.89,-49.69,;51.88,-51.23,;51.91,-45.08,;50.58,-44.31,;50.58,-42.78,;51.92,-42,;53.25,-42.78,;53.24,-44.31,;54.58,-45.09,;59.87,-51.29,;62.42,-54.52,;63.92,-54.22,)| Show InChI InChI=1S/C31H34ClFN4O2/c32-26-10-2-1-9-23(26)29-28-11-3-4-16-36(28)31(39)37(30(29)38)17-6-5-14-35-15-7-8-21(20-35)25-19-34-27-13-12-22(33)18-24(25)27/h1-2,9-10,12-13,18-19,21,34H,3-8,11,14-17,20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	132	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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