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SMILES: C[C@H](NC(=O)c1cnn2cccnc12)c1cc2cc(Cl)cc(C(O)=O)c2o1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50584879   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Stimulator of interferon genes protein


(Human)
BDBM50584879
PNG
(CHEMBL5092039)
Show SMILES C[C@H](NC(=O)c1cnn2cccnc12)c1cc2cc(Cl)cc(C(O)=O)c2o1 |r|
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.80E+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)
BDBM50584879
PNG
(CHEMBL5092039)
Show SMILES C[C@H](NC(=O)c1cnn2cccnc12)c1cc2cc(Cl)cc(C(O)=O)c2o1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+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


(Mus musculus)
BDBM50584879
PNG
(CHEMBL5092039)
Show SMILES C[C@H](NC(=O)c1cnn2cccnc12)c1cc2cc(Cl)cc(C(O)=O)c2o1 |r|
PDB
MMDB

Reactome pathway
KEGG

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 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)
BDBM50584879
PNG
(CHEMBL5092039)
Show SMILES C[C@H](NC(=O)c1cnn2cccnc12)c1cc2cc(Cl)cc(C(O)=O)c2o1 |r|
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
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)
BDBM50584879
PNG
(CHEMBL5092039)
Show SMILES C[C@H](NC(=O)c1cnn2cccnc12)c1cc2cc(Cl)cc(C(O)=O)c2o1 |r|
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 6.40E+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


(Human)
BDBM50584879
PNG
(CHEMBL5092039)
Show SMILES C[C@H](NC(=O)c1cnn2cccnc12)c1cc2cc(Cl)cc(C(O)=O)c2o1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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