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BDBM239116 US10195181, Example 21.1::US9403810, 21.1

SMILES: CC1COC(CC1Br)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C

InChI Key: InChIKey=SGMDUSNPYFXLQE-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 239116   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
E3 ubiquitin-protein ligase SMURF1


(Homo sapiens (Human))
BDBM239116
PNG
(US10195181, Example 21.1 | US9403810, 21.1)
Show SMILES CC1COC(CC1Br)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C
Show InChI InChI=1S/C22H31BrN4O4/c1-12-11-30-17(10-16(12)23)20-13(2)18(25-31-20)21(28)24-19-14(3)26(4)27(22(19)29)15-8-6-5-7-9-15/h12,15-17H,5-11H2,1-4H3,(H,24,28)
PDB

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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 630n/an/an/an/an/an/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))
BDBM239116
PNG
(US10195181, Example 21.1 | US9403810, 21.1)
Show SMILES CC1COC(CC1Br)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C
Show InChI InChI=1S/C22H31BrN4O4/c1-12-11-30-17(10-16(12)23)20-13(2)18(25-31-20)21(28)24-19-14(3)26(4)27(22(19)29)15-8-6-5-7-9-15/h12,15-17H,5-11H2,1-4H3,(H,24,28)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 630n/an/an/an/an/a25



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