BDBM50624200 CHEMBL5437294

SMILES c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H]([C@@H](CO[P@](=O)(O4)S)O[C@H]5n6cnc7c6C=NNC7=O)O)S)F)N

InChI Key InChIKey=DAWAAQFAHQWLHI-UHFFFAOYSA-N

Data  2 Kd  4 EC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50624200   

TargetStimulator of interferon genes protein(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50624200(CHEMBL5437294)
Affinity DataEC50:  60nMAssay Description:Agonist activity at human STING expressed in human THP-1 cells expressing IRF inducible SEAP reporter construct assessed as increase in interferon pr...More data for this Ligand-Target Pair
Ligand InfoPDBSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetStimulator of interferon genes protein(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50624200(CHEMBL5437294)
Affinity DataEC50:  540nMAssay Description:Agonist activity at human wild type STING overexpressed in STING knockout human THP1-Blue ISG cells expressing IRF inducible SEAP reporter construct ...More data for this Ligand-Target Pair
Ligand InfoPDBSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetStimulator of interferon genes protein(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50624200(CHEMBL5437294)
Affinity DataEC50: >5.00E+4nMAssay Description:Agonist activity at human STING in STING knockout human THP1-Blue ISG cells expressing IRF inducible SEAP reporter construct assessed as increase in ...More data for this Ligand-Target Pair
Ligand InfoPDBSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetStimulator of interferon genes protein(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50624200(CHEMBL5437294)
Affinity DataEC50:  4.80E+3nMAssay Description:Agonist activity at human STING expressed in mouse RAW cells expressing IRF inducible SEAP reporter construct assessed as increase in interferon prod...More data for this Ligand-Target Pair
Ligand InfoPDBSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetStimulator of interferon genes protein(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50624200(CHEMBL5437294)
Affinity DataKd:  2.40nMAssay Description:Binding affinity to recombinant human wild type STING (155 to 341 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ...More data for this Ligand-Target Pair
Ligand InfoPDBSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetStimulator of interferon genes protein(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50624200(CHEMBL5437294)
Affinity DataKd:  1.5nMAssay Description:Binding affinity to recombinant human Avi-tagged wild type STING (149 to 379 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociatio...More data for this Ligand-Target Pair
Ligand InfoPDBSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)