BDBM50582697 CHEMBL5081956

SMILES OCC(=O)N1CCc2[nH]c3c(Cl)c(Cl)cc(-c4cn[nH]c4)c3c2C1

InChI Key InChIKey=UUDFSTGSYHGEEV-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50582697   

TargetCyclic GMP-AMP synthase(Homo sapiens)
Shanghai Institute Of Materia Medica (Simm)

Curated by ChEMBL
LigandPNGBDBM50582697(CHEMBL5081956)
Affinity DataIC50:  27nMAssay Description:Inhibition of human cGASMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclic GMP-AMP synthase(Mus musculus)
Shanghai Institute Of Materia Medica (Simm)

Curated by ChEMBL
LigandPNGBDBM50582697(CHEMBL5081956)
Affinity DataIC50:  5.15E+3nMAssay Description:Inhibition of mouse cGASMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCyclic GMP-AMP synthase(Homo sapiens)
Shanghai Institute Of Materia Medica (Simm)

Curated by ChEMBL
LigandPNGBDBM50582697(CHEMBL5081956)
Affinity DataIC50:  2.95E+3nMAssay Description:Inhibition of cGAS in human THP-1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclic GMP-AMP synthase(Mus musculus)
Shanghai Institute Of Materia Medica (Simm)

Curated by ChEMBL
LigandPNGBDBM50582697(CHEMBL5081956)
Affinity DataIC50:  5.15E+3nMAssay Description:Inhibition of mouse cGASMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetCyclic GMP-AMP synthase(Homo sapiens)
Shanghai Institute Of Materia Medica (Simm)

Curated by ChEMBL
LigandPNGBDBM50582697(CHEMBL5081956)
Affinity DataIC50:  28nMAssay Description:Inhibition of human cGASMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB