Found 489 hits with Last Name = 'gangwar' and Initial = 's' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Stimulator of interferon genes protein
(Mus musculus) | BDBM50509050
(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+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/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
(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| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/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
(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| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50584871
(CHEMBL5080916)Show SMILES Clc1cc2cc(CNC(=O)c3cnn4cccnc34)oc2c2c1oc(=O)[nH]c2=O | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/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
(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| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5081567)Show SMILES OC(=O)c1c(O)c(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50584870
(CHEMBL5082881)Show SMILES Clc1cc(-c2nn[nH]n2)c2oc(CNC(=O)c3cnn4cccnc34)cc2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50584871
(CHEMBL5080916)Show SMILES Clc1cc2cc(CNC(=O)c3cnn4cccnc34)oc2c2c1oc(=O)[nH]c2=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5082361)Show SMILES OC(=O)c1c(F)ccc2cc(CNC(=O)c3cnn4cccnc34)oc12 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5081567)Show SMILES OC(=O)c1c(O)c(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5082707)Show SMILES OC(=O)c1cc(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5089143) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(AS-1404 | ASA-404 | ASA404 | CHEBI:75934 | DMXAA |...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Stimulator of interferon genes protein
(Human) | BDBM453549
(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5080916)Show SMILES Clc1cc2cc(CNC(=O)c3cnn4cccnc34)oc2c2c1oc(=O)[nH]c2=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5082881)Show SMILES Clc1cc(-c2nn[nH]n2)c2oc(CNC(=O)c3cnn4cccnc34)cc2c1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5090440)Show SMILES OC(=O)c1cc(Cl)cc2cc(CNC(=O)c3cncc4cccnc34)oc12 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5081567)Show SMILES OC(=O)c1c(O)c(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5091795)Show SMILES Cn1c(CNC(=O)c2cnn3cccnc23)nc2c(cccc12)C(O)=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5091795)Show SMILES Cn1c(CNC(=O)c2cnn3cccnc23)nc2c(cccc12)C(O)=O | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5082361)Show SMILES OC(=O)c1c(F)ccc2cc(CNC(=O)c3cnn4cccnc34)oc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5082707)Show SMILES OC(=O)c1cc(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5090440)Show SMILES OC(=O)c1cc(Cl)cc2cc(CNC(=O)c3cncc4cccnc34)oc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5078116) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5077683)Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5089143) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Stimulator of interferon genes protein
(Human) | BDBM50584881
(CHEMBL5082361)Show SMILES OC(=O)c1c(F)ccc2cc(CNC(=O)c3cnn4cccnc34)oc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5082881)Show SMILES Clc1cc(-c2nn[nH]n2)c2oc(CNC(=O)c3cnn4cccnc34)cc2c1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5088178)Show SMILES OC(=O)c1cccc2c(Cl)c(CNC(=O)c3cnn4cccnc34)oc12 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5077683)Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5077683)Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5077683)Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5077683)Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5082707)Show SMILES OC(=O)c1cc(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5077683)Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5077683)Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5090440)Show SMILES OC(=O)c1cc(Cl)cc2cc(CNC(=O)c3cncc4cccnc34)oc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5091795)Show SMILES Cn1c(CNC(=O)c2cnn3cccnc23)nc2c(cccc12)C(O)=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5088178)Show SMILES OC(=O)c1cccc2c(Cl)c(CNC(=O)c3cnn4cccnc34)oc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5089143) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Stimulator of interferon genes protein
(Human) | BDBM50584875
(CHEMBL5078116) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL5077683)Show SMILES Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |