BDBM50446472 CHEMBL3110021::US9765054, Compound 41B

SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1cnco1)c1ccccc1

InChI Key InChIKey=PYWCXCBMYMFPTR-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50446472   

TargetCytochrome P450 2D6(Human)
Biofocus

Curated by ChEMBL
LigandPNGBDBM50446472(CHEMBL3110021 | US9765054, Compound 41B)
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Biofocus

Curated by ChEMBL
LigandPNGBDBM50446472(CHEMBL3110021 | US9765054, Compound 41B)
Affinity DataIC50: 60nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Biofocus

Curated by ChEMBL
LigandPNGBDBM50446472(CHEMBL3110021 | US9765054, Compound 41B)
Affinity DataIC50: 400nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetHistone deacetylase 3(Human)
Biofocus

Curated by ChEMBL
LigandPNGBDBM50446472(CHEMBL3110021 | US9765054, Compound 41B)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetHistone deacetylase 4(Human)
Chdi Foundation

US Patent
LigandPNGBDBM50446472(CHEMBL3110021 | US9765054, Compound 41B)
Affinity DataIC50: 20nMAssay Description:5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2019
Entry Details
Go to US Patent

TargetHistone deacetylase 4(Human)
Chdi Foundation

US Patent
LigandPNGBDBM50446472(CHEMBL3110021 | US9765054, Compound 41B)
Affinity DataIC50: 200nMAssay Description:Inhibition of HDAC4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed