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 = 'BDBM239120'   

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))	BDBM239120 (US9403810, 25d) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)[C@H]1OC[C@@H](O1)C(C)(C)C |r| Show InChI InChI=1S/C23H34N4O5/c1-13-17(25-32-19(13)22-30-12-16(31-22)23(3,4)5)20(28)24-18-14(2)26(6)27(21(18)29)15-10-8-7-9-11-15/h15-16,22H,7-12H2,1-6H3,(H,24,28)/t16-,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	74	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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