Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase SMURF1' and Ligand = 'BDBM331984'   

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 (Homo sapiens (Human))	BDBM331984 (A mixture of 5-((2S,4R,6R)-6-(tert-butyl)-4-methox...) Show SMILES CO[C@@H]1C[C@@H](O[C@@H](C1)C(C)(C)C)c1onc(C(=O)NC2=C(C)N(C)N(C2C)C2CCCCC2)c1C |r,c:20| Show InChI InChI=1S/C27H44N4O4/c1-16-23(29-35-25(16)21-14-20(33-8)15-22(34-21)27(4,5)6)26(32)28-24-17(2)30(7)31(18(24)3)19-12-10-9-11-13-19/h18-22H,9-15H2,1-8H3,(H,28,32)/t18?,20-,21-,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM331984 (A mixture of 5-((2S,4R,6R)-6-(tert-butyl)-4-methox...) Show SMILES CO[C@@H]1C[C@@H](O[C@@H](C1)C(C)(C)C)c1onc(C(=O)NC2=C(C)N(C)N(C2C)C2CCCCC2)c1C |r,c:20| Show InChI InChI=1S/C27H44N4O4/c1-16-23(29-35-25(16)21-14-20(33-8)15-22(34-21)27(4,5)6)26(32)28-24-17(2)30(7)31(18(24)3)19-12-10-9-11-13-19/h18-22H,9-15H2,1-8H3,(H,28,32)/t18?,20-,21-,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair