Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50069451'   

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)	BDBM50069451 ((2R,3R)-1-Amino-4,4-dimethyl-2-phenyl-pentan-3-ol;...) Show SMILES CC(C)(C)[C@H](O)[C@@H](CN)c1ccccc1 Show InChI InChI=1S/C13H21NO/c1-13(2,3)12(15)11(9-14)10-7-5-4-6-8-10/h4-8,11-12,15H,9,14H2,1-3H3/t11-,12+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
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