Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50057623'   

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)	BDBM50057623 ((2S,8R)-8-(2-Bromo-allyl)-3-(4-iodo-phenyl)-8-aza-...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2CC(Br)=C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C18H21BrINO2/c1-11(19)10-21-14-7-8-16(21)17(18(22)23-2)15(9-14)12-3-5-13(20)6-4-12/h3-6,14-17H,1,7-10H2,2H3/t14?,15?,16?,17-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from norepinephrine transporter (NET) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
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