BDBM75853 2-[(3-chlorobenzyl)thio]-5-pyrrolidinosulfonyl-pyridine::2-[(3-chlorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine::2-[(3-chlorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine::2-[(3-chlorophenyl)methylthio]-5-(1-pyrrolidinylsulfonyl)pyridine::MLS002169763::SMR001250089::cid_7779508

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

InChI Key InChIKey=IKTIUZJGTQWNQN-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 2 hits for monomerid = 75853   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 75853BDBM75853(2-[(3R)-3-fluoropyrrolidin-1-yl]-N-(8-methoxy-4-me...)
Affinity DataKd:  11nMAssay 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 75853BDBM75853(2-[(3R)-3-fluoropyrrolidin-1-yl]-N-(8-methoxy-4-me...)
Affinity DataKd:  150nMAssay 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