Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50111889'   

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))	BDBM50111889 (1-[3-(3-Chloro-4-iodo-phenyl)-8-methyl-8-aza-bicyc...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(I)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7| Show InChI InChI=1S/C17H21ClINO/c1-3-16(21)17-12(9-11-5-7-15(17)20(11)2)10-4-6-14(19)13(18)8-10/h4,6,8,11-12,15,17H,3,5,7,9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0770	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [125I]- RTI-55 binding in rat striatal membrane against dopamine transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
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