BDBM239100 US10195181, Example 2.1::US9403810, 2.1

SMILES: Cc1c(noc1C1=CCC2(CCCO2)CC1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O

InChI Key: InChIKey=DTUQLOIOVIBKAJ-UHFFFAOYSA-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 = 239100   

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))	BDBM239100 (US10195181, Example 2.1 | US9403810, 2.1) Show SMILES Cc1c(noc1C1=CCC2(CCCO2)CC1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C25H34N4O4/c1-16-20(27-33-22(16)18-10-13-25(14-11-18)12-7-15-32-25)23(30)26-21-17(2)28(3)29(24(21)31)19-8-5-4-6-9-19/h10,19H,4-9,11-15H2,1-3H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64	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))	BDBM239100 (US10195181, Example 2.1 | US9403810, 2.1) Show SMILES Cc1c(noc1C1=CCC2(CCCO2)CC1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C25H34N4O4/c1-16-20(27-33-22(16)18-10-13-25(14-11-18)12-7-15-32-25)23(30)26-21-17(2)28(3)29(24(21)31)19-8-5-4-6-9-19/h10,19H,4-9,11-15H2,1-3H3,(H,26,30)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64	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