BDBM239113 US10195181, Example 13a::US9403810, 13b

SMILES: CO[C@@H]1C[C@@H](O[C@@H](C1)C(C)(C)C)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C

InChI Key: InChIKey=PQYMHCJXFXWEBH-AQNXPRMDSA-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 = 239113   

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))	BDBM239113 (US10195181, Example 13a | US9403810, 13b) Show SMILES CO[C@@H]1C[C@@H](O[C@@H](C1)C(C)(C)C)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |r| Show InChI InChI=1S/C26H40N4O5/c1-15-21(28-35-23(15)19-13-18(33-7)14-20(34-19)26(3,4)5)24(31)27-22-16(2)29(6)30(25(22)32)17-11-9-8-10-12-17/h17-20H,8-14H2,1-7H3,(H,27,31)/t18-,19-,20+/m1/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
HECT-type E3 ubiquitin transferase SMURF1 (Homo sapiens (Human))	BDBM239113 (US10195181, Example 13a | US9403810, 13b) Show SMILES CO[C@@H]1C[C@@H](O[C@@H](C1)C(C)(C)C)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |r| Show InChI InChI=1S/C26H40N4O5/c1-15-21(28-35-23(15)19-13-18(33-7)14-20(34-19)26(3,4)5)24(31)27-22-16(2)29(6)30(25(22)32)17-11-9-8-10-12-17/h17-20H,8-14H2,1-7H3,(H,27,31)/t18-,19-,20+/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	730	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