BDBM50632090 CHEMBL5426101::US20250340546, Example 1

SMILES Cn1c(=O)ccn(Cc2cnc(s2)-c2ccc(F)c(O)c2F)c1=O

InChI Key InChIKey=ASDDBOPVIMTACQ-UHFFFAOYSA-N

Data  1 KI  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 4 hits for monomerid = 50632090   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50632090BDBM50632090(CHEMBL5426101 | US20250340546, Example 1)
Affinity DataKi:  6nMAssay Description:Tight binding inhibition of recombinant mouse full-length C-terminal His-tagged HSD17B13 assessed as inhibition constant by morrison equationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
Target17-beta-hydroxysteroid dehydrogenase 13(Human)
Boehringer Ingelheim International

US Patent
LigandChemical structure of BindingDB Monomer ID 50632090BDBM50632090(CHEMBL5426101 | US20250340546, Example 1)
Affinity DataIC50: 9.19nMAssay 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
In Depth
Date in BDB:
2/25/2026
Entry Details
US Patent

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50632090BDBM50632090(CHEMBL5426101 | US20250340546, Example 1)
Affinity DataIC50: 319nMAssay 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
In Depth
Date in BDB:
2/25/2026
Entry Details
US Patent

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

US Patent
LigandChemical structure of BindingDB Monomer ID 50632090BDBM50632090(CHEMBL5426101 | US20250340546, Example 1)
Affinity DataIC50: 4.21E+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
In Depth
Date in BDB:
2/25/2026
Entry Details
US Patent