Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50178654'   

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
Transporter (Rattus norvegicus)	BDBM50178654 (2-[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CN(C)C(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C17H25ClN2OS/c1-19(2)17(21)12-22-11-14-10-20(3)9-8-16(14)13-4-6-15(18)7-5-13/h4-7,14,16H,8-12H2,1-3H3/t14-,16+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
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