BDBM50120421 CHEMBL2402206

SMILES Cc1ccc(c(C)c1)S(=O)(=O)c1cnc(SCC(=O)Nc2ccccc2C(F)(F)F)[nH]c1=O

InChI Key InChIKey=XHKKCXMZBGDTIT-UHFFFAOYSA-N

Data  1 KI  1 IC50  1 Kd  2 EC50

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50120421   

TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50120421(CHEMBL2402206)
Affinity DataKi:  2.80E+3nMAssay Description:Inhibition of Cys5-LDEETGEFL-NH2 binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) measu...More data for this Ligand-Target Pair
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50120421(CHEMBL2402206)
Affinity DataIC50:  1.18E+5nMAssay Description:Displacement of MR121-Nrf2 from human N-terminal His-tagged Kelch-DC domain of Keap1 (321 to 609) expressed in Escherichia coli BL21 (DE3) after 40 m...More data for this Ligand-Target Pair
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50120421(CHEMBL2402206)
Affinity DataKd:  5.10E+4nMAssay Description:Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance ...More data for this Ligand-Target Pair
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50120421(CHEMBL2402206)
Affinity DataEC50:  1.18E+5nMAssay Description:Inhibition of Keap1 (unknown origin) interaction to Nrf2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50120421(CHEMBL2402206)
Affinity DataEC50:  1.10E+5nMAssay Description:Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as thermal stabiliza...More data for this Ligand-Target Pair