Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50099232'   

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)	BDBM50099232 (1-[3-(4-Isopropyl-naphthalen-1-yl)-8-methyl-8-aza-...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(C(C)C)c3ccccc13)N2C |THB:11:10:24:6.7,2:4:24:6.7| Show InChI InChI=1S/C24H31NO/c1-5-23(26)24-21(14-16-10-13-22(24)25(16)4)20-12-11-17(15(2)3)18-8-6-7-9-19(18)20/h6-9,11-12,15-16,21-22,24H,5,10,13-14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Affinity for the displacement of [3H]-paroxetine binding to norepinephrine transporter (NET) in rat frontal cortex membranes				J Med Chem 44: 1509-15 (2001) BindingDB Entry DOI: 10.7270/Q2H1318R
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