BDBM390797 US9957263, Example 60

SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NCc3cccc(c3)C#N)c2)S(C)(=O)=O)c2cc[nH]c2c1=O

InChI Key InChIKey=WQADQDUYRWNAIQ-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 390797   

TargetBromodomain-containing protein 4(Human)
Abbvie

US Patent
LigandPNGBDBM390797(US9957263, Example 60)
Affinity DataKi:  2nMAssay Description:Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2020
Entry Details
US Patent

TargetBromodomain-containing protein 4(Human)
Abbvie

US Patent
LigandPNGBDBM390797(US9957263, Example 60)
Affinity DataKi:  7.90nMAssay Description:Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2020
Entry Details
US Patent