BDBM50521643 CHEMBL4552527
SMILES: Cc1cc(ccc1Cl)C(CC(O)=O)c1ccc2n(C)nnc2c1
InChI Key: InChIKey=KAYDCNXQTQFWMU-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)) | BDBM50521643![]() (CHEMBL4552527) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 4.40E+4 | 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 | ![]() 3D Structure (crystal) |