BDBM331988 US10195181, Example 15a::US10195181, Example 15b

SMILES: Cc1c(noc1C1CCC[C@H](O1)C(C)(C)C)C(=O)Nc1c(C)n(C)n(C2CCC2)c1=O

InChI Key: InChIKey=HSVDEPRFXVRJIG-DJNXLDHESA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 331988   

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))	BDBM331988 (US10195181, Example 15a | US10195181, Example 15b) Show SMILES Cc1c(noc1C1CCC[C@H](O1)C(C)(C)C)C(=O)Nc1c(C)n(C)n(C2CCC2)c1=O |r| Show InChI InChI=1S/C23H34N4O4/c1-13-18(25-31-20(13)16-11-8-12-17(30-16)23(3,4)5)21(28)24-19-14(2)26(6)27(22(19)29)15-9-7-10-15/h15-17H,7-12H2,1-6H3,(H,24,28)/t16?,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	630	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))	BDBM331988 (US10195181, Example 15a | US10195181, Example 15b) Show SMILES Cc1c(noc1C1CCC[C@H](O1)C(C)(C)C)C(=O)Nc1c(C)n(C)n(C2CCC2)c1=O |r| Show InChI InChI=1S/C23H34N4O4/c1-13-18(25-31-20(13)16-11-8-12-17(30-16)23(3,4)5)21(28)24-19-14(2)26(6)27(22(19)29)15-9-7-10-15/h15-17H,7-12H2,1-6H3,(H,24,28)/t16?,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	290	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