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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Stimulator of interferon genes protein' and Ligand = 'BDBM50584863'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Stimulator of interferon genes protein


(Mus musculus)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescein-labelled probe from wild type mouse His-tagged STING cytoplasmic domain (155 to 341 residues) by time-resolved FRET-based...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescein-labelled probe from human cytoplasmic domain of STING G230A/R293Q double mutant (155 to 341 residues) by time-resolved FR...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescein-labelled probe from wild type human His-tagged STING cytoplasmic domain (155 to 341 residues) by time-resolved FRET-based...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Mus musculus)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at STING in mouse RAW-Lucia ISG-KO-STING cells assessed as IRF reporter activation incubated for 20 hrs by quanti-blue SEAP reporter...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.30E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at STING in human THP1-Dual cells assessed as NF-kappaB reporter activation incubated for 20 hrs by quanti-blue SEAP reporter gene a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at STING in human THP1-Dual KO-STING cells assessed as NF-kappaB reporter activation incubated for 20 hrs by quanti-blue SEAP report...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.20E+4n/an/an/an/a


TBA

Assay Description
Binding affinity to wild type human His-tagged STING cytoplasmic domain (155 to 341 residues) assessed as induction of protein dimerization incubated...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.20E+4n/an/an/an/a


TBA

Assay Description
Binding affinity to human STING G230A/R293Q double mutant cytoplasmic domain (155 to 341 residues) assessed as induction of protein dimerization incu...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Mus musculus)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.70E+4n/an/an/an/a


TBA

Assay Description
Binding affinity to wild type mouse His-tagged STING cytoplasmic domain (155 to 341 residues) assessed as induction of protein dimerization incubated...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.40E+4n/an/an/an/a


TBA

Assay Description
Activation of STING pathway harboring WT/WT genotype in human PBMC cells assessed as increase in iFIT3 mRNA expression incubated for 6 hrs by RT-PCR ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10E+4n/an/an/an/a


TBA

Assay Description
Activation of STING pathway harboring WT/HAQ genotype in human PBMC cells assessed as increase in iFIT3 mRNA expression incubated for 6 hrs by RT-PCR...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.50E+4n/an/an/an/a


TBA

Assay Description
Activation of STING pathway harboring WT/R232H genotype in human PBMC cells assessed as increase in iFIT3 mRNA expression incubated for 6 hrs by RT-P...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.50E+4n/an/an/an/a


TBA

Assay Description
Activation of STING pathway harboring WT/WT genotype in human PBMC cells assessed as increase in MX1 mRNA expression incubated for 6 hrs by RT-PCR an...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.90E+3n/an/an/an/a


TBA

Assay Description
Activation of STING pathway harboring WT/HAQ genotype in human PBMC cells assessed as increase in MX1 mRNA expression incubated for 6 hrs by RT-PCR a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at STING in human THP1 Dual KO-STING cells assessed as IRF reporter activation incubated for 20 hrs by quanti-blue SEAP reporter gen...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.10E+4n/an/an/an/a


TBA

Assay Description
Activation of STING pathway harboring WT/R232H genotype in human PBMC cells assessed as increase in MX1 mRNA expression incubated for 6 hrs by RT-PCR...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.70E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at STING in human THP1 Dual cells assessed as IRF reporter activation incubated for 20 hrs by quanti-blue SEAP reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Mus musculus)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.40E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at STING in mouse RAW-Lucia ISG cells assessed as IRF reporter activation incubated for 20 hrs by quanti-blue SEAP reporter gene ass...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair