BDBM50547572 CHEMBL4788971

SMILES [H][C@@]12C[C@H](F)CN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCn1cc(C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O)C(N)=O)nn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(C)C)C(C)C

InChI Key InChIKey=VFKIEVQVPWNJAJ-QPWXORFJSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50547572   

TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
Irbm

Curated by ChEMBL
LigandPNGBDBM50547572(CHEMBL4788971)
Affinity DataIC50:  3.60nMAssay Description:Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) incubated for 60 mins by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed