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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase SMURF1' and Ligand = 'BDBM331991'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM331991
PNG
(A mixture of 5-((2R,6S)-6-(tert-butyl)tetrahydro-2...)
Show SMILES CC(C)n1n(C)c(C)c(NC(=O)c2noc([C@H]3CCC[C@H](O3)C(C)(C)C)c2C)c1=O |r|
Show InChI InChI=1S/C22H34N4O4/c1-12(2)26-21(28)18(14(4)25(26)8)23-20(27)17-13(3)19(30-24-17)15-10-9-11-16(29-15)22(5,6)7/h12,15-16H,9-11H2,1-8H3,(H,23,27)/t15-,16+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 980n/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