BDBM50582657 CHEMBL5082056

SMILES Cn1ccc(n1)-c1cc(Cl)c(Cl)c2[nH]c3CCN(Cc3c12)C(=O)CO

InChI Key InChIKey=NVPFAXHXXODQRO-UHFFFAOYSA-N

Data  4 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 15 hits for monomerid = 50582657   

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

Curated by ChEMBL
LigandPNGBDBM50582657(CHEMBL5082056 | US20250179079, Comparative Example...)
Affinity DataIC50: 14nMAssay 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
LigandPNGBDBM50582657(CHEMBL5082056 | US20250179079, Comparative Example...)
Affinity DataIC50: 14nMAssay 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
LigandPNGBDBM50582657(CHEMBL5082056 | US20250179079, Comparative Example...)
Affinity DataIC50: 35.2nMAssay Description:Certain compounds of the present disclosure were tested for their h-cGAS inhibition activity using the methodology reported in Lama et al., “Developm...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/30/2025
Entry Details
US Patent

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

Curated by ChEMBL
LigandPNGBDBM50582657(CHEMBL5082056 | US20250179079, Comparative Example...)
Affinity DataIC50: 51nMAssay Description:Inhibition of full length recombinant human cGAS expressed in Escherichia coli BL21 (DE3) incubated for 7 hrs by Kinase-glo max luminescent kinase as...More 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
LigandPNGBDBM50582657(CHEMBL5082056 | US20250179079, Comparative Example...)
Affinity DataKd:  53nMAssay Description:Binding affinity to human cGAS assessed as dissociation constant measured upto 240 secs by surface plasmon resonance assayMore 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
LigandPNGBDBM50582657(CHEMBL5082056 | US20250179079, Comparative Example...)
Affinity DataIC50: 440nMAssay 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
LigandPNGBDBM50582657(CHEMBL5082056 | US20250179079, Comparative Example...)
Affinity DataIC50: 442nMAssay 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
TargetCyclic GMP-AMP synthase(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50582657(CHEMBL5082056 | US20250179079, Comparative Example...)
Affinity DataIC50: 1.70E+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(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50582657(CHEMBL5082056 | US20250179079, Comparative Example...)
Affinity DataIC50: 2.69E+3nMAssay Description:Inhibition of human cGAS expressed in THP1-Dual cells transfected with HT-DNA assessed as suppression of lipofectamine 2000:ds-DNA complex induced ac...More 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
LigandPNGBDBM50582657(CHEMBL5082056 | US20250179079, Comparative Example...)
Affinity DataIC50: 4.82E+3nMAssay Description:Inhibition of cGAS in human THP1-Dual cells preincubated for 1 hr followed by cGAMP addition and measured after 24 hrs by luminescence based QUANTI-L...More 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
LigandPNGBDBM50582657(CHEMBL5082056 | US20250179079, Comparative Example...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of cGAS in mouse RAW-Lucia ISG cells preincubated for 1 hr followed by cGAMP addition and measured after 24 hrs by luminescence based QUAN...More 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
LigandPNGBDBM50582657(CHEMBL5082056 | US20250179079, Comparative Example...)
Affinity DataIC50: 1.46E+4nMAssay Description:Inhibition of cGAS in dsDNA activated mouse RAW-Lucia ISG cells preincubated for 1 hr followed by cGAMP addition and measured after 24 hrs by lumines...More 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
LigandPNGBDBM50582657(CHEMBL5082056 | US20250179079, Comparative Example...)
Affinity DataIC50: 1.46E+4nMAssay Description:Inhibition of cGAS in mouse RAW-Lucia ISG cells preincubated for 1 hr followed by cGAMP addition and measured after 24 hrs by luminescence based QUAN...More 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
LigandPNGBDBM50582657(CHEMBL5082056 | US20250179079, Comparative Example...)
Affinity DataIC50: 1.46E+4nMAssay Description:Inhibition of cGAS in dsDNA activated mouse RAW-Lucia ISG cells preincubated for 1 hr followed by cGAMP addition and measured after 24 hrs by lumines...More 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
LigandPNGBDBM50582657(CHEMBL5082056 | US20250179079, Comparative Example...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of mouse cGAS expressed in RAW-Lucia ISG transfected with HT-DNA assessed as suppression of lipofectamine 2000:ds-DNA complex induced acti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed