BDBM331230 8-[(3-Fluoropyridin-2-yl)(oxan-4-yl)methyl]-10-methanesulfonyl-13-methoxy-5-[4-(2H3)methyl-1-methyl-1H-1,2,3-triazol-5-yl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene::US9725449, Example 64::US9725449, Example 65

SMILES COc1ncc(c2n(C(C3CCOCC3)c3ncccc3F)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O

InChI Key InChIKey=QVOTZDQAQRXRHN-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 331230   

LigandPNGBDBM331230(US9725449, Example 64 | 8-[(3-Fluoropyridin-2-yl)(...)
Affinity DataIC50: 1nMAssay Description:The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2019
Entry Details
Go to US Patent

LigandPNGBDBM331230(US9725449, Example 64 | 8-[(3-Fluoropyridin-2-yl)(...)
Affinity DataIC50: 1.50E+3nMAssay Description:The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2019
Entry Details
Go to US Patent