BDBM72131 (2E)-2-[1-(3,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-5-oxo-4-imidazolylidene]acetic acid methyl ester::(2E)-2-[1-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-keto-2-imidazolin-4-ylidene]acetic acid methyl ester::MLS000574052::SMR000195639::cid_1582243::methyl (2E)-2-[1-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxidanylidene-imidazol-4-ylidene]ethanoate::methyl (2E)-2-[1-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxoimidazol-4-ylidene]acetate::methyl {1-(3,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene}acetate

SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)(C)C

InChI Key InChIKey=OWMRWDGXQKFWPW-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 72131   

TargetXaa-Pro dipeptidase(Human)
Memorial Sloan-Kettering Cancer Center; Memorial Hospital for Cancer and Allied Diseases; Sloan-Kettering Institute for Cancer Research

US Patent
LigandChemical structure of BindingDB Monomer ID 72131BDBM72131(US20250368624, Compound CQ45)
Affinity DataIC50: 1.50E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2026
Entry Details
US Patent

TargetXaa-Pro aminopeptidase 1(Human)
Memorial Sloan-Kettering Cancer Center; Memorial Hospital for Cancer and Allied Diseases; Sloan-Kettering Institute for Cancer Research

US Patent
LigandChemical structure of BindingDB Monomer ID 72131BDBM72131(US20250368624, Compound CQ45)
Affinity DataIC50: 5.70E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2026
Entry Details
US Patent