BDBM50632077 CHEMBL5418605::US20250340546, Example 5

SMILES CCn1c(=O)ccn(Cc2nnc(s2)-c2ccc(F)c(O)c2F)c1=O

InChI Key InChIKey=NXKHBOYGWSQPCC-UHFFFAOYSA-N

Data  2 KI  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50632077   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50632077BDBM50632077(CHEMBL5418605 | US20250340546, Example 5)
Affinity DataKi:  2nMAssay Description:Tight binding inhibition of recombinant human 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 Pharma

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50632077BDBM50632077(CHEMBL5418605 | US20250340546, Example 5)
Affinity DataIC50: 3nMAssay Description:Inhibition of recombinant human full-length C-terminal His-tagged HSD17B13 using estradiol and NAD as substrate preincubated for 10 mins followed by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
Target17-beta-hydroxysteroid dehydrogenase 13(Mus musculus)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50632077BDBM50632077(CHEMBL5418605 | US20250340546, Example 5)
Affinity DataKi:  3nMAssay 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 Pharma

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50632077BDBM50632077(CHEMBL5418605 | US20250340546, Example 5)
Affinity DataIC50: 15nMAssay Description:Inhibition of recombinant human full-length C-terminal His-tagged HSD17B13 expressed in HEK293 cells using estradiol as substrate preincubated for 30...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
Target17-beta-hydroxysteroid dehydrogenase 13(Mus musculus)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50632077BDBM50632077(CHEMBL5418605 | US20250340546, Example 5)
Affinity DataIC50: 23nMAssay Description:Inhibition of recombinant mouse full-length C-terminal His-tagged HSD17B13 using estradiol and NAD as substrate preincubated for 10 mins followed by ...More 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 Pharma

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50632077BDBM50632077(CHEMBL5418605 | US20250340546, Example 5)
Affinity DataIC50: 25.9nMAssay 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 50632077BDBM50632077(CHEMBL5418605 | US20250340546, Example 5)
Affinity DataIC50: 2.56E+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