BDBM50648831 CHEMBL5612485

SMILES C[C@H]1CN2CC[C@H]1n1c(nc3ccccc31)O[C@H]1C[C@@H](C(=O)O)N(C1)c1nc(nc3c1oc1ccccc13)C(F)(F)COCCCCC2=O

InChI Key

  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 = 50648831   

TargetCyclic GMP-AMP synthase(Human)
PI Health Sciences

Curated by ChEMBL
LigandPNGBDBM50648831(CHEMBL5612485)
Affinity DataIC50: 0.440nMAssay Description:Inhibition of cGAS in human THP-1 cells expressed in baculovirus infected insect cells incubated for 18 hrs by Lucia luciferase reporter assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCyclic GMP-AMP synthase(Human)
PI Health Sciences

Curated by ChEMBL
LigandPNGBDBM50648831(CHEMBL5612485)
Affinity DataIC50: 1nMAssay Description:Inhibition of cGAS in dsDNA stimulated human Whole blood cell by measuring IFNalpha-2a production incubated for 60 mins followed by addition of doubl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCyclic GMP-AMP synthase(Human)
PI Health Sciences

Curated by ChEMBL
LigandPNGBDBM50648831(CHEMBL5612485)
Affinity DataIC50: 2.10nMAssay Description:Inhibition of N-terminal 6His-SUMO tagged human cGAS (1 to 522 residues) extracted from Escherichia coli BL21(DE3)pLysS cells using GTP/ATP as substr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCyclic GMP-AMP synthase(Human)
PI Health Sciences

Curated by ChEMBL
LigandPNGBDBM50648831(CHEMBL5612485)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of cGAS in human THP-1 cells using cGAMP as substrate incubated for 18 hrs by Lucia luciferase reporter based counter assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed