Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50062753'   

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)	BDBM50062753 (CHEMBL3397806) Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2OCOc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H25F2NO4/c27-19-6-2-17(3-7-19)26(18-4-8-20(28)9-5-18)25-12-22(30)21(14-31-25)29-13-16-1-10-23-24(11-16)33-15-32-23/h1-11,21-22,25-26,29-30H,12-15H2/t21-,22-,25+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET				Bioorg Med Chem 23: 821-8 (2015) Article DOI: 10.1016/j.bmc.2014.12.040 BindingDB Entry DOI: 10.7270/Q2SQ921P
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