BDBM50590389 CHEMBL5179510::US12522603, Compound TDI-004576

SMILES COCC(=O)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1

InChI Key InChIKey=NBMQTQKDSJIHLY-UHFFFAOYSA-N

Data  4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50590389   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50590389BDBM50590389(CHEMBL5179510 | US12522603, Compound TDI-004576)
Affinity DataIC50: 440nMAssay 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(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50590389BDBM50590389(CHEMBL5179510 | US12522603, Compound TDI-004576)
Affinity DataIC50: 1.04E+3nMAssay Description:Inhibition of human (His6)-SUMO tagged cGAS expressed in Escherichia coli BL21-codonPlus(DE3)-RIL by ATP-biofluorescence assayMore 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 50590389BDBM50590389(CHEMBL5179510 | US12522603, Compound TDI-004576)
Affinity DataIC50: 2.08E+3nMAssay 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 50590389BDBM50590389(CHEMBL5179510 | US12522603, Compound TDI-004576)
Affinity DataIC50: 3.08E+3nMAssay 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