BDBM50542046 CHEMBL4633516::US11414384, Example 84 Isomer 2

SMILES Cn1cc(cn1)-c1ccc2c(c[nH]c2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1

InChI Key InChIKey=ZEMJUJNMCGYHGO-MUUNZHRXSA-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 = 50542046   

TargetHistone acetyltransferase p300(Homo sapiens (Human))
Constellation Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50542046(CHEMBL4633516 | US11414384, Example 84 Isomer 2)
Affinity DataIC50:  40nMAssay Description:Binding affinity to recombinant N-terminal His-tagged EP300 HAT domain (unknown origin) (1287 to 1666 residues) expressed in Escherichia coli incubat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
LigandPNGBDBM50542046(CHEMBL4633516 | US11414384, Example 84 Isomer 2)
Affinity DataIC50:  41nMAssay Description:The p300 HAT domain (residues 1287-1666) was expressed and purified with an N-terminal His tag from Escherichia coli cells. The expressed protein was...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCREB-binding protein(Homo sapiens (Human))
Constellation Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50542046(CHEMBL4633516 | US11414384, Example 84 Isomer 2)
Affinity DataIC50:  3.20nMAssay Description:Binding affinity to recombinant full length CBP (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by sc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetHistone acetyltransferase p300(Homo sapiens (Human))
Constellation Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50542046(CHEMBL4633516 | US11414384, Example 84 Isomer 2)
Affinity DataIC50:  2.5nMAssay Description:Binding affinity to recombinant full length EP300 (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed