Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50343473'   

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 dopamine transporter (Rattus norvegicus (rat))	BDBM50343473 (3-((((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-yl)...) Show SMILES Oc1cccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C25H27NO2/c27-23-13-7-8-19(16-23)17-26-22-14-15-24(28-18-22)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,16,22,24-27H,14-15,17-18H2/t22-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.3	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 DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
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