BDBM50532963 CHEMBL4545736

SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCNC(=O)CCCC(=O)Nc3ccc(cc3)S(=O)(=O)N(CC(O)=O)c3ccc(N(CC(O)=O)S(=O)(=O)c4ccc(OC)cc4)c4ccccc34)[C@@]1([H])NC(=O)N2

InChI Key InChIKey=SUBCRQHVMPHGLA-UHFFFAOYSA-N

Data  2 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50532963   

TargetKelch-like ECH-associated protein 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50532963(CHEMBL4545736)
Affinity DataKd:  22nMAssay Description:Binding affinity to human KEAP1 kelch domain (322 to 609 residues) expressed in Escherichia coli Arctic(DE3) cells by biolayer interferometry methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50532963(CHEMBL4545736)
Affinity DataKd:  22nMAssay Description:Binding affinity to human KEAP1 kelch domain (322 to 609 residues) expressed in Escherichia coli Arctic(DE3) cells by biolayer interferometry methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50532963(CHEMBL4545736)
Affinity DataIC50: 74nMAssay Description:Inhibition of FITC-labeled 9-mer Nrf2 peptide amide binding to human KEAP1 kelch domain (322 to 609 residues) expressed in Escherichia coli Arctic(DE...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50532963(CHEMBL4545736)
Affinity DataIC50: 74nMAssay Description:Inhibition of FITC-labeled 9-mer Nrf2 peptide amide binding to human KEAP1 kelch domain (322 to 609 residues) expressed in Escherichia coli Arctic(DE...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed