BDBM673781 US20240150300, Compound I-11

SMILES COc1ccc(N)c(NC(=O)c2ccc(cc2)[C@H](C)n2nc(ccc2=O)-c2ccc(CN(C)C)cc2)c1

InChI Key InChIKey=WIANRWPSSUMUQR-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 673781   

TargetHistone deacetylase 1(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM673781(US20240150300, Compound I-11)
Affinity DataIC50: 42nMAssay Description:Inhibition of recombinant HDAC1 (unknown origin) using [Lys(Ac)9]-Histone H3(1-21)-GGK (Biotin) incubated for 30 mins by dual fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMed
TargetHistone deacetylase 1(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM673781(US20240150300, Compound I-11)
Affinity DataIC50: 42.4nMAssay Description:Human recombinant HDAC family proteins with His and GST tags were expressed using insect baculovirus expression system, and a biologically active HDA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2024
Entry Details
Go to US Patent

TargetHistone deacetylase 6(Human)
Shanghai Institute of Materia Medica

US Patent
LigandPNGBDBM673781(US20240150300, Compound I-11)
Affinity DataIC50: 1.00E+4nMAssay Description:Human recombinant HDAC family proteins with His and GST tags were expressed using insect baculovirus expression system, and a biologically active HDA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2024
Entry Details
Go to US Patent