BDBM75854 (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-(3-methoxyanilino)-2-oxoethyl] ester::(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-keto-2-(m-anisidino)ethyl] ester::MLS002170462::SMR001250778::[2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate::[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate::cid_6219814

SMILES COc1cc(NC(=O)c2cc3c(nc2N2CC[C@H](F)C2)COC3)cc2c(C)cc(=O)[nH]c12

InChI Key InChIKey=FSQVBLZNWAARMI-UHFFFAOYSA-N

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 75854   

TargetBromodomain-containing protein 4 [58-164](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 75854BDBM75854(2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(8-methoxy-4-me...)
Affinity DataKd:  92nMAssay Description:Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2026
Entry Details
US Patent

TargetBromodomain-containing protein 4 [353-454](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 75854BDBM75854(2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(8-methoxy-4-me...)
Affinity DataKd: >1.00E+4nMAssay Description:Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2026
Entry Details
US Patent

TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3A(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 75854BDBM75854(2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(8-methoxy-4-me...)
Affinity DataIC50: 1.00E+4nMAssay Description:Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2026
Entry Details
US Patent