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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50582698   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50582698BDBM50582698(CHEMBL4448176 | US12522603, Compound TDI-008087)
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
LigandChemical structure of BindingDB Monomer ID 50582698BDBM50582698(CHEMBL4448176 | US12522603, Compound TDI-008087)
Affinity DataIC50: 10nMAssay Description:Inhibition of Jak2 (unknown origin) assessed as inhibition of STAT5 phosphorylation by cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2026
Entry Details PubMed
TargetCyclic GMP-AMP synthase(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50582698BDBM50582698(CHEMBL4448176 | US12522603, Compound TDI-008087)
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
LigandChemical structure of BindingDB Monomer ID 50582698BDBM50582698(CHEMBL4448176 | US12522603, Compound TDI-008087)
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
LigandChemical structure of BindingDB Monomer ID 50582698BDBM50582698(CHEMBL4448176 | US12522603, Compound TDI-008087)
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
TargetMannosyl-oligosaccharide glucosidase(Human)
The Rockefeller University; Memorial Sloan-Kettering Cancer Center

US Patent
LigandChemical structure of BindingDB Monomer ID 50582698BDBM50582698(CHEMBL4448176 | US12522603, Compound TDI-008087)
Affinity DataIC50: 10.2nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/26/2026
Entry Details US Patent

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50582698BDBM50582698(CHEMBL4448176 | US12522603, Compound TDI-008087)
Affinity DataIC50: 1.96E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2026
Entry Details PubMed
TargetCyclic GMP-AMP synthase(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50582698BDBM50582698(CHEMBL4448176 | US12522603, Compound TDI-008087)
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
LigandChemical structure of BindingDB Monomer ID 50582698BDBM50582698(CHEMBL4448176 | US12522603, Compound TDI-008087)
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
LigandChemical structure of BindingDB Monomer ID 50582698BDBM50582698(CHEMBL4448176 | US12522603, Compound TDI-008087)
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
LigandChemical structure of BindingDB Monomer ID 50582698BDBM50582698(CHEMBL4448176 | US12522603, Compound TDI-008087)
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
LigandChemical structure of BindingDB Monomer ID 50582698BDBM50582698(CHEMBL4448176 | US12522603, Compound TDI-008087)
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