BDBM425131 4-[3[(2-chloro-6-fluoro-phenyl)- methoxy-methyl]-1H-pyrrolo[2,3- b]pyridin-5-yl]-3,5-dimethyl- isoxazole::US10519177, Compound P-0014

SMILES COC(c1c[nH]c2ncc(cc12)-c1c(C)noc1C)c1c(F)cccc1Cl

InChI Key InChIKey=XCTQRWHKMNPRRL-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 425131   

TargetBromodomain-containing protein 4 [44-164](Human)
Plexxikon

US Patent
LigandPNGBDBM425131(US10519177, Compound P-0014 | 4-[3[(2-chloro-6-flu...)
Affinity DataIC50: 1.00E+3nMAssay Description:Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/19/2020
Entry Details
Go to US Patent

TargetHistone deacetylase(Human)
Shandong First Medical University & Shandong Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM425131(US10519177, Compound P-0014 | 4-[3[(2-chloro-6-flu...)
Affinity DataIC50: 291nMAssay Description:Inhibition of HDAC (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
The First Affiliated Hospital of Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM425131(US10519177, Compound P-0014 | 4-[3[(2-chloro-6-flu...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of GST-tagged BRD4 (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetHistone deacetylase 3(Human)
The First Affiliated Hospital of Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM425131(US10519177, Compound P-0014 | 4-[3[(2-chloro-6-flu...)
Affinity DataIC50: 5nMAssay Description:Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC fluorogenic substrate measured after 60 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed