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 = 'BDBM238970'   

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))	BDBM238970 (US9403833, 5) Show SMILES Cc1c(NC(=O)c2nnn(c2C)-c2ccc(OC(F)(F)F)cc2Cl)c(=O)n(C2CCCCC2)n1C Show InChI InChI=1S/C22H24ClF3N6O3/c1-12-19(21(34)32(30(12)3)14-7-5-4-6-8-14)27-20(33)18-13(2)31(29-28-18)17-10-9-15(11-16(17)23)35-22(24,25)26/h9-11,14H,4-8H2,1-3H3,(H,27,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	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 US9403833 (2016) BindingDB Entry DOI: 10.7270/Q2PN94JM
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