BDBM332005 US10195181, Example 25a::US10195181, Example 25b::US10195181, Example 25c::US10195181, Example 25d

SMILES: Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1OCC(O1)C(C)(C)C

InChI Key: InChIKey=XDTHTVWRJCHZCK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 332005   

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))	BDBM332005 (US10195181, Example 25a | US10195181, Example 25b ...) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1OCC(O1)C(C)(C)C Show InChI InChI=1S/C23H34N4O5/c1-13-17(25-32-19(13)22-30-12-16(31-22)23(3,4)5)20(28)24-18-14(2)26(6)27(21(18)29)15-10-8-7-9-11-15/h15-16,22H,7-12H2,1-6H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	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))	BDBM332005 (US10195181, Example 25a | US10195181, Example 25b ...) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1OCC(O1)C(C)(C)C Show InChI InChI=1S/C23H34N4O5/c1-13-17(25-32-19(13)22-30-12-16(31-22)23(3,4)5)20(28)24-18-14(2)26(6)27(21(18)29)15-10-8-7-9-11-15/h15-16,22H,7-12H2,1-6H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	74	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))	BDBM332005 (US10195181, Example 25a | US10195181, Example 25b ...) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1OCC(O1)C(C)(C)C Show InChI InChI=1S/C23H34N4O5/c1-13-17(25-32-19(13)22-30-12-16(31-22)23(3,4)5)20(28)24-18-14(2)26(6)27(21(18)29)15-10-8-7-9-11-15/h15-16,22H,7-12H2,1-6H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	840	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))	BDBM332005 (US10195181, Example 25a | US10195181, Example 25b ...) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1OCC(O1)C(C)(C)C Show InChI InChI=1S/C23H34N4O5/c1-13-17(25-32-19(13)22-30-12-16(31-22)23(3,4)5)20(28)24-18-14(2)26(6)27(21(18)29)15-10-8-7-9-11-15/h15-16,22H,7-12H2,1-6H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	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