BDBM50582695 CHEMBL5094220

SMILES O=C(Nc1sc2CCCCc2c1C#N)c1n[nH]c(n1)-n1cnnc1

InChI Key InChIKey=KXUXBBQQIKZNON-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 50582695   

TargetCyclic GMP-AMP synthase(Human)
Shanghai Institute of Materia Medica (Simm)

Curated by ChEMBL
LigandPNGBDBM50582695(CHEMBL5094220)
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of human cGAS incubated for 1 hr followed by Cy5-labeled cGAMP addition and measured after 1 hr by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCyclic GMP-AMP synthase(Human)
Shanghai Institute of Materia Medica (Simm)

Curated by ChEMBL
LigandPNGBDBM50582695(CHEMBL5094220)
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of N-terminal 6XHis-SUMO2 fused full length human cGAS (1 to 522 residues) expressed in human THP-1 cells transfected with HT-DNA incubate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCyclic GMP-AMP synthase(Human)
Shanghai Institute of Materia Medica (Simm)

Curated by ChEMBL
LigandPNGBDBM50582695(CHEMBL5094220)
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of N-terminal 6His-SUMO2 fusion protein tagged full length human cGAS (1 to 522 residues) expressed in Escherichia coli Rosetta 2 (DE3) ce...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed