BDBM50539569 CHEMBL4635041
SMILES: CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1cc(C)c2CCN(Cc2c1)C(=O)c1ccccc1
InChI Key: InChIKey=QQOWDADZZIZEDA-VWLOTQADSA-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)) | BDBM50539569 (CHEMBL4635041) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB PubMed | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
Biogen Curated by ChEMBL | Assay Description Binding affinity to Keap1 (unknown origin) by SPR assay | Bioorg Med Chem Lett 30: (2020) | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human)) | BDBM50539569 (CHEMBL4635041) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | n/a | n/a | 270 | n/a | n/a | n/a | n/a |
Biogen Curated by ChEMBL | Assay Description Induction of Nrf2 nuclear translocation in human U2OS cells | Bioorg Med Chem Lett 30: (2020) | |||||||||||
More data for this Ligand-Target Pair |