Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM85218'   

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 noradrenaline transporter (Homo sapiens (Human))	BDBM85218 (CAS_39022-39-4 | Oxaprotiline) Show SMILES CNCC(O)CC12CCC(c3ccccc13)c1ccccc21 |TLB:17:16:7.8:10.15,11:10:7.8:16.21,THB:20:21:7.8:10.15,(4.63,-9.46,;4.63,-7.92,;3.3,-7.14,;3.31,-5.6,;4.82,-5.29,;1.98,-4.82,;1.99,-3.28,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;3.1,-2.51,;4.26,-1.49,;5.72,-1.98,;6.02,-3.49,;4.86,-4.51,;3.4,-4.02,;.22,-2.54,;-1.21,-1.97,;-2.42,-2.92,;-2.2,-4.44,;-.77,-5.02,;.44,-4.07,)| Show InChI InChI=1S/C20H23NO/c1-21-13-14(22)12-20-11-10-15(16-6-2-4-8-18(16)20)17-7-3-5-9-19(17)20/h2-9,14-15,21-22H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP Ki Database									Eur J Pharmacol 340: 249-58 (1997) Article DOI: 10.1016/s0014-2999(97)01393-9 BindingDB Entry DOI: 10.7270/Q2V69H3D
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