BDBM457374 US10738056, Compound C1089

SMILES COc1cccc2oc(nc12)-c1c([nH]c2c(c(nn2c1=O)C(F)(F)F)-c1ccccc1)C#N

InChI Key InChIKey=GQEFAQYDQCAKMD-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 = 457374   

TargetCyclic GMP-AMP synthase [155-522](Human)
Aduro Biotech

US Patent
LigandPNGBDBM457374(US10738056, Compound C1089)
Affinity DataIC50: 20nMAssay Description:Protein was expressed and purified from E. coli BL21 DE3 Rosetta 2 (EMD Millipore) cells using standard techniques. Cells were grown in 2x yeast extr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
US Patent

TargetCyclic GMP-AMP synthase(Human)
Roche Innovation Center Shanghai

Curated by ChEMBL
LigandPNGBDBM457374(US10738056, Compound C1089)
Affinity DataIC50: 2.00E+4nMAssay Description:Antagonist activity at N-terminal 6XHis tagged human cGAS (155 to 522 residues) expressed in Escherichia coli BL21 DE3 Rosetta 2 in presence of ATP b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed