BDBM177692 US9120772, 1

SMILES Cc1c(O[C@@H](c2ccc(C(N)=O)cc2)c2ccnc(CCC(=O)O)c2)ccc2c1OCCC2=O

InChI Key InChIKey=NIKNBUUQERIBKV-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 177692   

TargetHLA-DR4 protein(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 177692BDBM177692((*S)-Ethyl 3-(4-((4-carbamoylphenyl)((8-methyl-4-o...)
Affinity DataIC50: 510nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/18/2026
Entry Details
US Patent