BDBM50582698 CHEMBL4448176

SMILES Nc1ccc(cn1)-c1cc(Cl)c(Cl)c2[nH]c3CCN(Cc3c12)C(=O)CO

InChI Key InChIKey=VVUOUIPXYFIWLE-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50582698   

TargetCyclic GMP-AMP synthase(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50582698(CHEMBL4448176)
Affinity DataIC50: 10nMAssay Description:Inhibition of full length human cGAS expressed in Escherichia coli BL21 (DE3) incubated for 7 hrs by Kinase-glo luminescent assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCyclic GMP-AMP synthase(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50582698(CHEMBL4448176)
Affinity DataIC50: 10nMAssay Description:Inhibition of full length human cGAS expressed in Escherichia coli BL21 (DE3) incubated for 2 hrs in presence of ATP by RF-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCyclic GMP-AMP synthase(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50582698(CHEMBL4448176)
Affinity DataIC50: 10nMAssay Description:Inhibition of human cGASMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCyclic GMP-AMP synthase(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50582698(CHEMBL4448176)
Affinity DataIC50: 10nMAssay Description:Inhibition of human cGASMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetCyclic GMP-AMP synthase(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50582698(CHEMBL4448176)
Affinity DataIC50: 1.96E+3nMAssay Description:Inhibition of cGAS in human THP-1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetCyclic GMP-AMP synthase(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50582698(CHEMBL4448176)
Affinity DataIC50: 1.96E+3nMAssay Description:Inhibition of cGAS in dsDNA stimulated human THP-1 cells assessed as inhibition of IFNB1 mRNA level by qRT-PCR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCyclic GMP-AMP synthase(Mouse)
Shanghai Institute of Materia Medica (Simm)

Curated by ChEMBL
LigandPNGBDBM50582698(CHEMBL4448176)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of mouse cGASMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCyclic GMP-AMP synthase(Mouse)
Shanghai Institute of Materia Medica (Simm)

Curated by ChEMBL
LigandPNGBDBM50582698(CHEMBL4448176)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of mouse cGASMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetCyclic GMP-AMP synthase(Mouse)
Shanghai Institute of Materia Medica (Simm)

Curated by ChEMBL
LigandPNGBDBM50582698(CHEMBL4448176)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of full length mouse cGAS expressed in Escherichia coli BL21 (DE3) incubated for 7 hrs by Kinase-glo luminescent assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed