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SMILES: Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1CCCCC1

InChI Key: InChIKey=ORBQTKSTKCWRMJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 239110   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM239110 (US10195181, Example 10 | US9403810, 10) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1CCCCC1 Show InChI InChI=1S/C22H32N4O3/c1-14-18(24-29-20(14)16-10-6-4-7-11-16)21(27)23-19-15(2)25(3)26(22(19)28)17-12-8-5-9-13-17/h16-17H,4-13H2,1-3H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	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 [420-757] (Homo sapiens (Human))	BDBM239110 (US10195181, Example 10 | US9403810, 10) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1CCCCC1 Show InChI InChI=1S/C22H32N4O3/c1-14-18(24-29-20(14)16-10-6-4-7-11-16)21(27)23-19-15(2)25(3)26(22(19)28)17-12-8-5-9-13-17/h16-17H,4-13H2,1-3H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	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
					More data for this Ligand-Target Pair