BDBM50250108 CHEMBL4096573

SMILES c1ccc(cc1)c2cc(n3c(n2)c(cn3)C(=O)N[C@H]4CCCC[C@H]4C(=O)O)O

InChI Key InChIKey=PHGTYMRDHDEHLI-UHFFFAOYSA-N

Data  2 IC50  3 Kd

PDB links: 2 PDB IDs match 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 = 50250108   

TargetCyclic GMP-AMP synthase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50250108(CHEMBL4096573)
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclic GMP-AMP synthase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50250108(CHEMBL4096573)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclic GMP-AMP synthase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50250108(CHEMBL4096573)
Affinity DataKd:  200nMAssay Description:Binding affinity to human cGAS (2 to 522 residues) expressed in Sf9 insect cells by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclic GMP-AMP synthase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50250108(CHEMBL4096573)
Affinity DataKd:  200nMAssay Description:Binding affinity to human Cyclic GMP-AMP synthase (2 to 522 residues) expressed in Sf9 cells by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclic GMP-AMP synthase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50250108(CHEMBL4096573)
Affinity DataKd:  200nMAssay Description:Binding affinity to human cGAS assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)