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Compile Data Set for Download or QSAR

Found 489 hits with Last Name = 'gangwar' and Initial = 's'   
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)
BDBM50509050
PNG
(CHEMBL4438309)
Show SMILES CCn1nc(C)cc1C(=O)\N=c1/[nH]c2cc(cc(OC)c2n1C\C=C\Cn1c2c(OCCCN3CCOCC3)cc(cc2[nH]\c1=N/C(=O)c1cc(C)nn1CC)C(N)=O)C(N)=O
Show InChI InChI=1S/C42H51N13O7/c1-6-54-31(19-25(3)49-54)39(58)47-41-45-29-21-27(37(43)56)23-33(60-5)35(29)52(41)12-8-9-13-53-36-30(46-42(53)48-40(59)32-20-26(4)50-55(32)7-2)22-28(38(44)57)24-34(36)62-16-10-11-51-14-17-61-18-15-51/h8-9,19-24H,6-7,10-18H2,1-5H3,(H2,43,56)(H2,44,57)(H,45,47,58)(H,46,48,59)/b9-8+
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n/an/a 2.60n/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)
BDBM50509050
PNG
(CHEMBL4438309)
Show SMILES CCn1nc(C)cc1C(=O)\N=c1/[nH]c2cc(cc(OC)c2n1C\C=C\Cn1c2c(OCCCN3CCOCC3)cc(cc2[nH]\c1=N/C(=O)c1cc(C)nn1CC)C(N)=O)C(N)=O
Show InChI InChI=1S/C42H51N13O7/c1-6-54-31(19-25(3)49-54)39(58)47-41-45-29-21-27(37(43)56)23-33(60-5)35(29)52(41)12-8-9-13-53-36-30(46-42(53)48-40(59)32-20-26(4)50-55(32)7-2)22-28(38(44)57)24-34(36)62-16-10-11-51-14-17-61-18-15-51/h8-9,19-24H,6-7,10-18H2,1-5H3,(H2,43,56)(H2,44,57)(H,45,47,58)(H,46,48,59)/b9-8+
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n/an/a 3.90n/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)
BDBM50509050
PNG
(CHEMBL4438309)
Show SMILES CCn1nc(C)cc1C(=O)\N=c1/[nH]c2cc(cc(OC)c2n1C\C=C\Cn1c2c(OCCCN3CCOCC3)cc(cc2[nH]\c1=N/C(=O)c1cc(C)nn1CC)C(N)=O)C(N)=O
Show InChI InChI=1S/C42H51N13O7/c1-6-54-31(19-25(3)49-54)39(58)47-41-45-29-21-27(37(43)56)23-33(60-5)35(29)52(41)12-8-9-13-53-36-30(46-42(53)48-40(59)32-20-26(4)50-55(32)7-2)22-28(38(44)57)24-34(36)62-16-10-11-51-14-17-61-18-15-51/h8-9,19-24H,6-7,10-18H2,1-5H3,(H2,43,56)(H2,44,57)(H,45,47,58)(H,46,48,59)/b9-8+
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n/an/a 7.10n/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


(Human)
BDBM50558665
PNG
(CHEMBL4776666)
Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/a 7.20n/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


(Mus musculus)
BDBM50558665
PNG
(CHEMBL4776666)
Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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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)
BDBM50584871
PNG
(CHEMBL5080916)
Show SMILES Clc1cc2cc(CNC(=O)c3cnn4cccnc34)oc2c2c1oc(=O)[nH]c2=O
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n/an/a 50n/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)
BDBM50558665
PNG
(CHEMBL4776666)
Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/a 200n/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)
BDBM50584874
PNG
(CHEMBL5081567)
Show SMILES OC(=O)c1c(O)c(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12
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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)
BDBM50584870
PNG
(CHEMBL5082881)
Show SMILES Clc1cc(-c2nn[nH]n2)c2oc(CNC(=O)c3cnn4cccnc34)cc2c1
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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)
BDBM50584871
PNG
(CHEMBL5080916)
Show SMILES Clc1cc2cc(CNC(=O)c3cnn4cccnc34)oc2c2c1oc(=O)[nH]c2=O
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n/an/a 470n/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


(Mus musculus)
BDBM50584881
PNG
(CHEMBL5082361)
Show SMILES OC(=O)c1c(F)ccc2cc(CNC(=O)c3cnn4cccnc34)oc12
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n/an/a 540n/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)
BDBM50584874
PNG
(CHEMBL5081567)
Show SMILES OC(=O)c1c(O)c(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12
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n/an/a 580n/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


(Mus musculus)
BDBM50584873
PNG
(CHEMBL5082707)
Show SMILES OC(=O)c1cc(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12
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n/an/a 1.00E+3n/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)
BDBM50584867
PNG
(CHEMBL5089143)
Show SMILES OC(=O)c1cccc2cc(CNC(=O)c3cnn4cccnc34)oc12
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n/an/a 1.10E+3n/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)
BDBM50511078
PNG
(AS-1404 | ASA-404 | ASA404 | CHEBI:75934 | DMXAA |...)
Show SMILES Cc1ccc2c(oc3c(CC(O)=O)cccc3c2=O)c1C
Show InChI InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19)
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n/an/a 1.20E+3n/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
3D
3D Structure (crystal)
Stimulator of interferon genes protein


(Human)
BDBM453549
PNG
(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Show SMILES COc1cc2sc(cc2c(F)c1OC)C(=O)CCC(O)=O
Show InChI InChI=1S/C14H13FO5S/c1-19-9-6-10-7(13(15)14(9)20-2)5-11(21-10)8(16)3-4-12(17)18/h5-6H,3-4H2,1-2H3,(H,17,18)
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n/an/a 1.30E+3n/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)
BDBM50584871
PNG
(CHEMBL5080916)
Show SMILES Clc1cc2cc(CNC(=O)c3cnn4cccnc34)oc2c2c1oc(=O)[nH]c2=O
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n/an/a 1.40E+3n/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


(Human)
BDBM50584870
PNG
(CHEMBL5082881)
Show SMILES Clc1cc(-c2nn[nH]n2)c2oc(CNC(=O)c3cnn4cccnc34)cc2c1
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n/an/a 1.70E+3n/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


(Mus musculus)
BDBM50584872
PNG
(CHEMBL5090440)
Show SMILES OC(=O)c1cc(Cl)cc2cc(CNC(=O)c3cncc4cccnc34)oc12
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n/an/a 2.30E+3n/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)
BDBM50584874
PNG
(CHEMBL5081567)
Show SMILES OC(=O)c1c(O)c(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12
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n/an/a 2.50E+3n/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


(Human)
BDBM50584878
PNG
(CHEMBL5091795)
Show SMILES Cn1c(CNC(=O)c2cnn3cccnc23)nc2c(cccc12)C(O)=O
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n/an/a 3.80E+3n/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)
BDBM50584878
PNG
(CHEMBL5091795)
Show SMILES Cn1c(CNC(=O)c2cnn3cccnc23)nc2c(cccc12)C(O)=O
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n/an/a 4.80E+3n/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)
BDBM50584881
PNG
(CHEMBL5082361)
Show SMILES OC(=O)c1c(F)ccc2cc(CNC(=O)c3cnn4cccnc34)oc12
PDB
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n/an/a 4.90E+3n/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)
BDBM50584873
PNG
(CHEMBL5082707)
Show SMILES OC(=O)c1cc(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12
PDB
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n/an/a 5.00E+3n/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)
BDBM50584872
PNG
(CHEMBL5090440)
Show SMILES OC(=O)c1cc(Cl)cc2cc(CNC(=O)c3cncc4cccnc34)oc12
PDB
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n/an/a 5.20E+3n/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


(Mus musculus)
BDBM453549
PNG
(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Show SMILES COc1cc2sc(cc2c(F)c1OC)C(=O)CCC(O)=O
Show InChI InChI=1S/C14H13FO5S/c1-19-9-6-10-7(13(15)14(9)20-2)5-11(21-10)8(16)3-4-12(17)18/h5-6H,3-4H2,1-2H3,(H,17,18)
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n/an/a 7.40E+3n/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)
BDBM50584875
PNG
(CHEMBL5078116)
Show SMILES OC(=O)c1cccc2cc(Cn3ccc4ccncc4c3=O)oc12
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n/an/a 8.40E+3n/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)
BDBM453549
PNG
(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Show SMILES COc1cc2sc(cc2c(F)c1OC)C(=O)CCC(O)=O
Show InChI InChI=1S/C14H13FO5S/c1-19-9-6-10-7(13(15)14(9)20-2)5-11(21-10)8(16)3-4-12(17)18/h5-6H,3-4H2,1-2H3,(H,17,18)
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n/an/a 9.40E+3n/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


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


(Mus musculus)
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
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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)
BDBM50584867
PNG
(CHEMBL5089143)
Show SMILES OC(=O)c1cccc2cc(CNC(=O)c3cnn4cccnc34)oc12
PDB
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n/an/a 1.40E+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
3D
3D Structure (crystal)
Stimulator of interferon genes protein


(Human)
BDBM50584881
PNG
(CHEMBL5082361)
Show SMILES OC(=O)c1c(F)ccc2cc(CNC(=O)c3cnn4cccnc34)oc12
PDB
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n/an/a 1.50E+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


(Human)
BDBM50584870
PNG
(CHEMBL5082881)
Show SMILES Clc1cc(-c2nn[nH]n2)c2oc(CNC(=O)c3cnn4cccnc34)cc2c1
PDB
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n/an/a 1.50E+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
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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)
BDBM50584880
PNG
(CHEMBL5088178)
Show SMILES OC(=O)c1cccc2c(Cl)c(CNC(=O)c3cnn4cccnc34)oc12
PDB
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n/an/a 1.90E+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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
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n/an/a>2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CYP2C9


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


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

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n/an/a>2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CYP2D6


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
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n/an/a>2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CYP3A4


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


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

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n/an/a>2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CYP2C8


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)
BDBM50584873
PNG
(CHEMBL5082707)
Show SMILES OC(=O)c1cc(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12
PDB
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n/an/a 2.00E+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
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
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n/an/a>2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CYP2C19


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50584863
PNG
(CHEMBL5077683)
Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
PDB
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n/an/a>2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CYP1A2


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)
BDBM50584872
PNG
(CHEMBL5090440)
Show SMILES OC(=O)c1cc(Cl)cc2cc(CNC(=O)c3cncc4cccnc34)oc12
PDB
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n/an/a 2.30E+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


(Human)
BDBM50584878
PNG
(CHEMBL5091795)
Show SMILES Cn1c(CNC(=O)c2cnn3cccnc23)nc2c(cccc12)C(O)=O
PDB
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n/an/a 2.30E+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)
BDBM50584880
PNG
(CHEMBL5088178)
Show SMILES OC(=O)c1cccc2c(Cl)c(CNC(=O)c3cnn4cccnc34)oc12
PDB
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n/an/a 2.40E+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
Stimulator of interferon genes protein


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


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


(Human)
BDBM50584867
PNG
(CHEMBL5089143)
Show SMILES OC(=O)c1cccc2cc(CNC(=O)c3cnn4cccnc34)oc12
PDB
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n/an/a 4.00E+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
3D
3D Structure (crystal)
Stimulator of interferon genes protein


(Human)
BDBM50584875
PNG
(CHEMBL5078116)
Show SMILES OC(=O)c1cccc2cc(Cn3ccc4ccncc4c3=O)oc12
PDB
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n/an/a 4.10E+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
Nuclear receptor subfamily 1 group I member 2


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

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antibodypedia
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n/an/a>5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Transactivation of PXR (unknown origin)


Citation and Details

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