BDBM67083 4-keto-4-(2-thienyl)butyric acid phenacyl ester::4-oxo-4-thiophen-2-ylbutanoic acid phenacyl ester::MLS002249645::SMR001317072::cid_2357917::phenacyl 4-oxidanylidene-4-thiophen-2-yl-butanoate::phenacyl 4-oxo-4-thiophen-2-ylbutanoate

SMILES O=C(CCC(=O)c1cccs1)OCC(=O)c1ccccc1

InChI Key InChIKey=PRUGYABZNYFQLC-UHFFFAOYSA-N

Data  1 EC50

  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 7 hits for monomerid = 67083   

TargetCytochrome P450 11B2, mitochondrial(Human)
Zhejiang Yangli Pharmaceutical Technology Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 67083BDBM67083(US20250361240, Compound Example 1)
Affinity DataIC50: 26.4nMAssay 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:
4/8/2026
Entry Details ArticleUS Patent

TargetCytochrome P450 11B1, mitochondrial(Human)
Zhejiang Yangli Pharmaceutical Technology Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 67083BDBM67083(US20250361240, Compound Example 1)
Affinity DataIC50: 4.22E+3nMAssay 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:
4/8/2026
Entry Details ArticleUS Patent

TargetCytochrome P450 1A2(Human)
Zhejiang Yangli Pharmaceutical Technology Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 67083BDBM67083(US20250361240, Compound Example 1)
Affinity DataIC50: 5.00E+4nMAssay 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:
4/8/2026
Entry Details ArticleUS Patent

TargetCytochrome P450 2C19(Human)
Zhejiang Yangli Pharmaceutical Technology Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 67083BDBM67083(US20250361240, Compound Example 1)
Affinity DataIC50: 5.00E+4nMAssay 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:
4/8/2026
Entry Details ArticleUS Patent

TargetCytochrome P450 2C9(Human)
Zhejiang Yangli Pharmaceutical Technology Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 67083BDBM67083(US20250361240, Compound Example 1)
Affinity DataIC50: 5.00E+4nMAssay 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:
4/8/2026
Entry Details ArticleUS Patent

TargetCytochrome P450 3A4(Human)
Zhejiang Yangli Pharmaceutical Technology Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 67083BDBM67083(US20250361240, Compound Example 1)
Affinity DataIC50: 5.00E+4nMAssay 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:
4/8/2026
Entry Details ArticleUS Patent

TargetCytochrome P450 2D6(Human)
Zhejiang Yangli Pharmaceutical Technology Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 67083BDBM67083(US20250361240, Compound Example 1)
Affinity DataIC50: 5.00E+4nMAssay 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:
4/8/2026
Entry Details ArticleUS Patent