BDBM42509 1-(3,4-dimethylphenyl)ethanone O-(4-isopropoxybenzoyl)oxime::4-isopropoxybenzoic acid [1-(3,4-dimethylphenyl)ethylideneamino] ester::4-propan-2-yloxybenzoic acid [1-(3,4-dimethylphenyl)ethylideneamino] ester::MLS000537152::SMR000159930::[1-(3,4-dimethylphenyl)ethylideneamino] 4-propan-2-yloxybenzoate::cid_842414

SMILES C=CC(=O)N1CCc2nn(-c3ccc(C4CCC4)cc3O)c3c2C(C1)N(C(=O)c1cnc(Br)c2c1=NCN=2)CC3

InChI Key InChIKey=XTOAXNCVFKLQHT-UHFFFAOYSA-N

Data  1 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 = 42509   

LigandChemical structure of BindingDB Monomer ID 42509BDBM42509(1-(5-(4-bromo-3H- imidazo[4,5-c]pyridine- 7-carbon...)
Affinity DataIC50: 1.5nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2026
Entry Details
US Patent