Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50152023'   

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))	BDBM50152023 (5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...) Show SMILES NC(=O)c1cc2cc(ccc2[nH]1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C26H28N6O/c27-16-18-4-6-24-22(13-18)19(17-29-24)3-1-2-8-31-9-11-32(12-10-31)21-5-7-23-20(14-21)15-25(30-23)26(28)33/h4-7,13-15,17,29-30H,1-3,8-12H2,(H2,28,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT re-uptake in rat synaptosomes				J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS
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