BDBM67091 (1S,3R,3aS,6aR)-3-ethyl-1-[[ethyl-[(4-fluorophenyl)-oxomethyl]amino]methyl]-4,6-dioxo-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid methyl ester;2,2,2-trifluoroacetic acid::(1S,3R,3aS,6aR)-5-benzyl-3-ethyl-1-[[ethyl-(4-fluorobenzoyl)amino]methyl]-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid methyl ester;2,2,2-trifluoroacetic acid::MLS002476928::SMR001398851::cid_44246933::methyl (1S,3R,3aS,6aR)-3-ethyl-1-[[ethyl-(4-fluorophenyl)carbonyl-amino]methyl]-4,6-bis(oxidanylidene)-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate;2,2,2-tris(fluoranyl)ethanoic acid::methyl (1S,3R,3aS,6aR)-5-benzyl-3-ethyl-1-[[ethyl-(4-fluorobenzoyl)amino]methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate;2,2,2-trifluoroacetic acid

SMILES CCN(C[C@H]1N[C@](CC)([C@@H]2[C@H]1C(=O)N(Cc1ccccc1)C2=O)C(=O)OC)C(=O)c1ccc(F)cc1

InChI Key InChIKey=AKSIBRHUCBVPFX-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 = 67091   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 67091BDBM67091(US20250361240, Example Baxdrostat)
Affinity DataIC50: 28.1nMAssay 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 67091BDBM67091(US20250361240, Example Baxdrostat)
Affinity DataIC50: 3.37E+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 2C19(Human)
Zhejiang Yangli Pharmaceutical Technology Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 67091BDBM67091(US20250361240, Example Baxdrostat)
Affinity DataIC50: 6.52E+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 2C9(Human)
Zhejiang Yangli Pharmaceutical Technology Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 67091BDBM67091(US20250361240, Example Baxdrostat)
Affinity DataIC50: 3.52E+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 1A2(Human)
Zhejiang Yangli Pharmaceutical Technology Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 67091BDBM67091(US20250361240, Example Baxdrostat)
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 67091BDBM67091(US20250361240, Example Baxdrostat)
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 67091BDBM67091(US20250361240, Example Baxdrostat)
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