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 = 'BDBM239133'   

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))	BDBM239133 (US9403810, 23) Show SMILES Cc1c(noc1C1CC(CO1)C(C)(C)Br)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O Show InChI InChI=1S/C23H33BrN4O4/c1-13-18(26-32-20(13)17-11-15(12-31-17)23(3,4)24)21(29)25-19-14(2)27(5)28(22(19)30)16-9-7-6-8-10-16/h15-17H,6-12H2,1-5H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	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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