BDBM50180850 CHEMBL3819587

SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1

InChI Key InChIKey=ZDNGJXBUEQNFBQ-GCJKJVERSA-N

Data  1 KI  4 IC50  3 Kd  6 EC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50180850   

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

Curated by ChEMBL
LigandPNGBDBM50180850(CHEMBL3819587)
Affinity DataKi:  1nMAssay 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
TargetBile salt export pump(Homo sapiens (Human))
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50180850(CHEMBL3819587)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of BSEP (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50180850(CHEMBL3819587)
Affinity DataIC50:  2.50E+3nMAssay Description:Inhibition of OATP1B1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50180850(CHEMBL3819587)
Affinity DataEC50:  27nMAssay Description:Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of TXNRD1 mRNA expression incubated ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50180850(CHEMBL3819587)
Affinity DataEC50:  16nMAssay Description:Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of HO-1 mRNA expression incubated fo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50180850(CHEMBL3819587)
Affinity DataEC50:  36nMAssay Description:Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of GCLM mRNA expression incubated fo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50180850(CHEMBL3819587)
Affinity DataEC50:  12nMAssay Description:Inhibition of KEAP1/NRF2 interaction in human BEAS2B cells assessed as induction of NQO1 specific activity incubated for 48 hrs measured on day 4 pos...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50180850(CHEMBL3819587)
Affinity DataKd:  1.30nMAssay Description:Binding affinity to human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infected sf9 cells by isoth...More data for this Ligand-Target Pair
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50180850(CHEMBL3819587)
Affinity DataEC50:  1.90E+3nMAssay 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
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50180850(CHEMBL3819587)
Affinity DataKd:  1.40nMAssay 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
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50180850(CHEMBL3819587)
Affinity DataKd:  1.60nMAssay Description:Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation rate...More data for this Ligand-Target Pair
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50180850(CHEMBL3819587)
Affinity DataIC50:  8nMAssay 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
TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3A(Homo sapiens (Human))
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50180850(CHEMBL3819587)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of PDE3A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50180850(CHEMBL3819587)
Affinity DataEC50:  22nMAssay Description:Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of NQO1 mRNA expression incubated fo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed