Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50330788'   

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))	BDBM50330788 (CHEMBL1277500 | N1-Methyl-N2-phenyl-N2-(4-(2-(pyrr...) Show SMILES CNCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C21H29N3O/c1-22-13-16-24(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-23-14-5-6-15-23/h2-4,7-12,22H,5-6,13-18H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of SERT				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
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