Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50147595'   

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))	BDBM50147595 ((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...) Show SMILES CN1C2C[C@@H](C1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(O)=O |TLB:25:4:1:6.8.7,THB:9:7:1:4.3| Show InChI InChI=1S/C22H23F2NO3/c1-25-17-10-18(12-20(25)19(11-17)22(26)27)28-21(13-2-6-15(23)7-3-13)14-4-8-16(24)9-5-14/h2-9,17-21H,10-12H2,1H3,(H,26,27)/t17?,18?,19-,20?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from dopamine transporter of rat brain membrane				Bioorg Med Chem Lett 14: 3295-8 (2004) Article DOI: 10.1016/j.bmcl.2004.03.075 BindingDB Entry DOI: 10.7270/Q2F76D43
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