BDBM50624116 CHEMBL5436074

SMILES Cc1ccc(CNC(=O)c2cc(\C=C\C(O)=O)cc(c2)-c2ccc3ncnn3c2)cc1

InChI Key InChIKey=QJWQAZTYFYCFQU-UHFFFAOYSA-N

Data  4 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 = 50624116   

TargetAldo-keto reductase family 1 member C3(Human)
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50624116(CHEMBL5436074)
Affinity DataIC50: 51nMAssay Description:Inhibition of recombinant AKR1C3 (unknown origin) dehydrogenase activity by measuring NADH formation by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetAldo-keto reductase family 1 member C1(Human)
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50624116(CHEMBL5436074)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant AKR1C1 (unknown origin) dehydrogenase activity by measuring NADH formation by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetAldo-keto reductase family 1 member C2(Human)
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50624116(CHEMBL5436074)
Affinity DataIC50: 6.20E+4nMAssay Description:Inhibition of recombinant AKR1C2 (unknown origin) dehydrogenase activity by measuring NADH formation by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetAldo-keto reductase family 1 member C4(Human)
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50624116(CHEMBL5436074)
Affinity DataIC50: 4.30E+4nMAssay Description:Inhibition of recombinant AKR1C4 (unknown origin) dehydrogenase activity by measuring NADH formation by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed