BDBM784413 US20250340546, Example 14

SMILES CCn1c(=O)c2ncsc2n(Cc2nnc(-c3ccc(F)c(O)c3F)s2)c1=O

InChI Key

Data  3 IC50

  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 3 hits for monomerid = 784413   

Target17-beta-hydroxysteroid dehydrogenase 13(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM784413(US20250340546, Example 14)
Affinity DataIC50: 3.67nMAssay Description:Estradiol (Sigma, Cat #E8875), NAD (Roche, Cat #10621650001) and recombinant hHSD17B11 (U-Protein Express BV, Netherlands) were diluted in assay buff...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
2/25/2026
Entry Details
US Patent

Target17-beta-hydroxysteroid dehydrogenase 13(Mus musculus)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM784413(US20250340546, Example 14)
Affinity DataIC50: 22.4nMAssay Description:Estradiol (Sigma, Cat #E8875), NAD (Roche, Cat #10621650001) and recombinant hHSD17B11 (U-Protein Express BV, Netherlands) were diluted in assay buff...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
2/25/2026
Entry Details
US Patent

TargetEstradiol 17-beta-dehydrogenase 11(Homo sapiens)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM784413(US20250340546, Example 14)
Affinity DataIC50: 3.54E+3nMAssay Description:Estradiol (Sigma, Cat #E8875), NAD (Roche, Cat #10621650001) and recombinant hHSD17B11 (U-Protein Express BV, Netherlands) were diluted in assay buff...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
2/25/2026
Entry Details
US Patent