BDBM50539562 CHEMBL4642419

SMILES CCn1c2ccc(c(c2nn1)C)[C@@H](CC(=O)O)c3ccc4c(c3)CN(CC4)C(=O)c5ccccc5

InChI Key InChIKey=AUCYBCJRRYAJGN-UHFFFAOYSA-N

Data  1 Kd  1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50539562   

TargetNuclear factor erythroid 2-related factor 2(Human)
Biogen

Curated by ChEMBL

LigandBDBM50539562(CHEMBL4642419)Copy SMILESCopy InChI

Affinity DataEC50:  690nMAssay Description:Induction of Nrf2 nuclear translocation in human U2OS cellsMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/12/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetKelch-like ECH-associated protein 1(Human)
Biogen

Curated by ChEMBL

LigandBDBM50539562(CHEMBL4642419)Copy SMILESCopy InChI

Affinity DataKd:  2.70nMAssay Description:Binding affinity to Keap1 (unknown origin) by SPR assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/12/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL