Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50474037'   

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 (Homo sapiens (Human))	BDBM50474037 (CHEMBL435954) Show SMILES COc1ccc(OC)c(\C=C\C(=O)N2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 Show InChI InChI=1S/C30H32F2N2O4/c1-36-27-12-13-28(37-2)24(21-27)7-14-29(35)34-17-15-33(16-18-34)19-20-38-30(22-3-8-25(31)9-4-22)23-5-10-26(32)11-6-23/h3-14,21,30H,15-20H2,1-2H3/b14-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to human SERT in clonal cells				J Med Chem 45: 1577-84 (2002) Article DOI: 10.1021/jm011007+ BindingDB Entry DOI: 10.7270/Q29026JT
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