BDBM50521640 CHEMBL4473977
SMILES: CN(Cc1cc(ccc1C)C(CC(O)=O)c1ccc2n(C)nnc2c1)S(=O)(=O)c1ccccc1
InChI Key: InChIKey=QJFXAWTUFRGEDO-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human)) | BDBM50521640 (CHEMBL4473977) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in... | J Med Chem 62: 4683-4702 (2019) Article DOI: 10.1021/acs.jmedchem.9b00279 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human)) | BDBM50521640 (CHEMBL4473977) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals Curated by ChEMBL | Assay Description Activation of Nrf2 in human BEAS2B cells assessed as increase in NQO1 enzymatic activity measured after 48 hrs by MTT assay | J Med Chem 62: 4683-4702 (2019) Article DOI: 10.1021/acs.jmedchem.9b00279 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human)) | BDBM50521640 (CHEMBL4473977) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity to human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus infected Sf9 insect cells by isoth... | J Med Chem 62: 4683-4702 (2019) Article DOI: 10.1021/acs.jmedchem.9b00279 | |||||||||||
More data for this Ligand-Target Pair |