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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 = 'BDBM239113'   
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))		BDBM239113
PNG
(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/an/a 290n/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