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 = 'BDBM238972'   

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))	BDBM238972 (US9403833, 7) Show SMILES Cc1c(nnn1-c1ccc(Cl)cc1Cl)C(=O)Nc1c(C)n(C)n(-c2ccccc2F)c1=O |(-1.07,-3.01,;-1.84,-1.67,;-1.36,-.21,;-2.61,.7,;-3.85,-.21,;-3.38,-1.67,;-4.47,-2.76,;-5.96,-2.36,;-7.04,-3.45,;-6.65,-4.94,;-7.73,-6.03,;-5.16,-5.34,;-4.07,-4.25,;-2.58,-4.65,;-.03,.56,;-.03,2.1,;1.3,-.21,;2.64,.56,;3.88,-.34,;3.88,-1.88,;5.13,.56,;6.46,-.21,;4.65,2.03,;5.42,3.36,;4.65,4.69,;5.42,6.03,;6.96,6.03,;7.73,4.69,;6.96,3.36,;7.73,2.03,;3.11,2.03,;2.34,3.36,)| Show InChI InChI=1S/C21H17Cl2FN6O2/c1-11-19(21(32)30(28(11)3)17-7-5-4-6-15(17)24)25-20(31)18-12(2)29(27-26-18)16-9-8-13(22)10-14(16)23/h4-10H,1-3H3,(H,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80E+3	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
					More data for this Ligand-Target Pair