BDBM50539562 CHEMBL4642419

SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1ccccc1

InChI Key InChIKey=AUCYBCJRRYAJGN-DEOSSOPVSA-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   

TargetKelch-like ECH-associated protein 1(Homo sapiens (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 InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (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
B.MOADGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI