Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase SMURF1 [420-757]' and Ligand = 'BDBM239134'   

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
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239134 (US9403810, 24) Show SMILES CC(C)C1COC(C1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C Show InChI InChI=1S/C23H34N4O4/c1-13(2)16-11-18(30-12-16)21-14(3)19(25-31-21)22(28)24-20-15(4)26(5)27(23(20)29)17-9-7-6-8-10-17/h13,16-18H,6-12H2,1-5H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
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