BDBM50543397 CHEMBL4646593

SMILES [H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3cccc(c3)CC

InChI Key InChIKey=KJSIIAIZHJYKDK-UHFFFAOYSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

  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 6 hits for monomerid = 50543397   

TargetAndrogen receptor(Human)
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50543397(CHEMBL4646593)
Affinity DataIC50: 5.80E+3nMAssay Description:Antagonistic activity at AR in human 22Rv1 cells assessed as reduction in cell number by CCK8 assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C4(Human)
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50543397(CHEMBL4646593)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant AKR1C4 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH levelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C2(Human)
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50543397(CHEMBL4646593)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant AKR1C2 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH levelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C1(Human)
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50543397(CHEMBL4646593)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant AKR1C1 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH levelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C3(Human)
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50543397(CHEMBL4646593)
Affinity DataIC50: 34nMAssay Description:Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH levelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonyl reductase [NADPH] 1(Human)
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50543397(CHEMBL4646593)
Affinity DataIC50: 250nMAssay Description:Inhibition of CBR1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed