Found 97 hits of kd for UniProtKB: Q86WV6 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Stimulator of interferon genes protein
(Human) | BDBM490791
(9-((4S,6R,7S,11aR,13R,14R,14aR,15R)-13-(6-amino-9H...)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=S)O[C@H]3[C@@H](F)[C@@H](O[C@@H]3COP(S)(=S)O[C@@H]1[C@@H]2O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O7P2S4/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)37-39(41,42)34-3-10-16(38-40(43,44)36-9)11(22)21(35-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,41,42)(H,43,44)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50587689
(CHEMBL5197229)Show SMILES [H][C@@]12COP(O)(=O)O[C@H]3[C@@H](O)[C@H](O[C@]3([H])COP(O)(=O)O[C@@H]([C@H](O1)n1cnc3c1nc(N)[nH]c3=O)[C@@H]2O)n1cnc2c(N)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 | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113113
BindingDB Entry DOI: 10.7270/Q2VD73DS |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490777
(US10968242, Example 3 Peak 4)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@@H](O)[C@H](C[C@H]3n3cnc4c3nc[nH]c4=O)OP(S)(=O)O[C@H]2[C@@H]1F |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490790
(US10968242, Example 17 Peak 2)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=S)O[C@H]3[C@@H](F)[C@@H](O[C@@H]3COP(S)(=O)O[C@@H]1[C@H]2O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O8P2S3/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)38-40(34,42)35-3-10-16(39-41(43,44)37-9)11(22)21(36-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,42)(H,43,44)(H2,23,24,25)/t8-,9+,10-,11-,14+,15+,16-,21-,40?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490772
(US10968242, Example 2 Peak 3)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O9P2S2/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)39-41(34,43)36-3-10-16(40-42(35,44)38-9)11(22)21(37-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,43)(H,35,44)(H2,23,24,25)/t8-,9+,10-,11+,14-,15+,16-,21-,41?,42?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490773
(US10968242, Example 2 Peak 4)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O9P2S2/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)39-41(34,43)36-3-10-16(40-42(35,44)38-9)11(22)21(37-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,43)(H,35,44)(H2,23,24,25)/t8-,9+,10-,11+,14+,15+,16-,21-,41?,42?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490776
(US10968242, Example 3 Peak 3)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@H](O)[C@H](C[C@H]3n3cnc4c3nc[nH]c4=O)OP(S)(=O)O[C@H]2[C@@H]1F |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50610499
(CHEMBL5287243)Show SMILES NC1=NC2C(N=CN2[C@@H]2O[C@@H]3COP(O)(=O)O[C@@H]4[C@@H](COP(O)(=O)O[C@H]3[C@H]2O)O[C@H]([C@@H]4O)N2C=NC3C2N=C(N)NC3=O)C(=O)N1 |r,c:5,37,t:1,42| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490789
(US10968242, Example 17 Peak 1)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=S)O[C@H]3[C@@H](F)[C@@H](O[C@@H]3COP(S)(=O)O[C@@H]1[C@@H]2O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O8P2S3/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)38-40(34,42)35-3-10-16(39-41(43,44)37-9)11(22)21(36-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,42)(H,43,44)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-,40?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50509049
(CHEMBL4440744)Show SMILES CCn1nc(C)cc1C(=O)\N=c1/[nH]c2cc(ccc2n1CCCCn1c2ccc(cc2[nH]\c1=N/C(=O)c1cc(C)nn1CC)C(N)=O)C(N)=O Show InChI InChI=1S/C34H38N12O4/c1-5-45-27(15-19(3)41-45)31(49)39-33-37-23-17-21(29(35)47)9-11-25(23)43(33)13-7-8-14-44-26-12-10-22(30(36)48)18-24(26)38-34(44)40-32(50)28-16-20(4)42-46(28)6-2/h9-12,15-18H,5-8,13-14H2,1-4H3,(H2,35,47)(H2,36,48)(H,37,39,49)(H,38,40,50) | 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 | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113113
BindingDB Entry DOI: 10.7270/Q2VD73DS |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50509049
(CHEMBL4440744)Show SMILES CCn1nc(C)cc1C(=O)\N=c1/[nH]c2cc(ccc2n1CCCCn1c2ccc(cc2[nH]\c1=N/C(=O)c1cc(C)nn1CC)C(N)=O)C(N)=O Show InChI InChI=1S/C34H38N12O4/c1-5-45-27(15-19(3)41-45)31(49)39-33-37-23-17-21(29(35)47)9-11-25(23)43(33)13-7-8-14-44-26-12-10-22(30(36)48)18-24(26)38-34(44)40-32(50)28-16-20(4)42-46(28)6-2/h9-12,15-18H,5-8,13-14H2,1-4H3,(H2,35,47)(H2,36,48)(H,37,39,49)(H,38,40,50) | 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 | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114482
BindingDB Entry DOI: 10.7270/Q29027SC |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM573971
(US11453697, Example 247)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2CO[P@](S)(=O)O[C@@H]3[C@@H](CO[P@](S)(=O)O[C@@H]1[C@@H]2F)O[C@H]([C@H]3F)n1cnc2c(N)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 | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490781
(US10968242, Example 7 Peak 4)Show SMILES Cc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490794
(US10968242, Example 19 Peak 3)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3F)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12+,15-,16+,17-,22-,42?,43?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490786
(US10968242, Example 15 Peak 2)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O10P2S/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)41-43(36,44)37-3-10-16(40-42(34,35)39-9)11(22)21(38-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,35)(H,36,44)(H2,23,24,25)/t8-,9+,10-,11-,14+,15+,16-,21-,43?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50506263
(CHEMBL4465054 | US11401295, Compound 2',3'-cGAMP)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@@]([H])([C@@H](O1)n1cnc3c1nc(N)[nH]c3=O)[C@@H]2O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.79 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to wild type human STING (139 to 379 residues) by ITC assay |
J Med Chem 63: 3785-3816 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01039
BindingDB Entry DOI: 10.7270/Q22B92BD |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50610500
(CHEMBL5280499)Show SMILES Nc1nc(N)c2ncn([C@@H]3O[C@@H]4COP(O)(=O)O[C@@H]5C(O)[C@@H](COP(O)(=O)O[C@H]4[C@H]3O)O[C@H]5n3ccc4c3[nH]c(N)nc4=O)c2n1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490780
(US10968242, Example 7 Peak 3)Show SMILES Cc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50587689
(CHEMBL5197229)Show SMILES [H][C@@]12COP(O)(=O)O[C@H]3[C@@H](O)[C@H](O[C@]3([H])COP(O)(=O)O[C@@H]([C@H](O1)n1cnc3c1nc(N)[nH]c3=O)[C@@H]2O)n1cnc2c(N)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 | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113113
BindingDB Entry DOI: 10.7270/Q2VD73DS |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM581019
(US11492367, Compound 17)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC2COP(O)(=O)NC3CC(OC3COP(O)(=O)OC1C2O)n1cnc2c(N)ncnc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 4.85 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compounds were analyzed on an S200 biacore SPR instrument (GE Healthcare). E. coli produced truncated STING protein was immobilized on a series S str... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2B2805P |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50509398
(CHEMBL4438957)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24N10O11P2S2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(39-18)2-37-43(35,45)41-13-10(31)6(1-36-42(34,44)40-12)38-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,44)(H,35,45)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-,42?,43?/m1/s1 | 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 | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to wild type human STING (139 to 379 residues) by ITC assay |
J Med Chem 63: 3785-3816 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01039
BindingDB Entry DOI: 10.7270/Q22B92BD |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50506263
(CHEMBL4465054 | US11401295, Compound 2',3'-cGAMP)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@@]([H])([C@@H](O1)n1cnc3c1nc(N)[nH]c3=O)[C@@H]2O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490774
(US10968242, Example 3 Peak 1)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@H](O)[C@H](C[C@H]3n3cnc4c3nc[nH]c4=O)OP(S)(=O)O[C@H]2[C@H]1F |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490775
(US10968242, Example 3 Peak 2)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@@H](O)[C@H](C[C@H]3n3cnc4c3nc[nH]c4=O)OP(S)(=O)O[C@H]2[C@H]1F |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490784
(9-[(4S,6R,7S,11aR,13R,14R,14aR,15R)-13-(6-amino-9H...)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O11P2/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)41-43(34,35)38-3-10-16(42-44(36,37)40-9)11(22)21(39-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,35)(H,36,37)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490799
(US10968242, Example 21 Peak 2)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)41-43(35,36)38-4-11-17(42-44(37,45)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15+,16+,17-,22-,44?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490795
(US10968242, Example 19 Peak 4)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@H]3F)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12+,15+,16+,17-,22-,42?,43?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490788
(US10968242, Example 16 Peak 2)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O10P2S/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)40-42(34,35)37-3-10-16(41-43(36,44)39-9)11(22)21(38-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,35)(H,36,44)(H2,23,24,25)/t8-,9+,10-,11-,14+,15+,16-,21-,43?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490770
(US10968242, Example 2 Peak 1)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O9P2S2/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)39-41(34,43)36-3-10-16(40-42(35,44)38-9)11(22)21(37-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,43)(H,35,44)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-,41?,42?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490785
(US10968242, Example 15 Peak 1)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O10P2S/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)41-43(36,44)37-3-10-16(40-42(34,35)39-9)11(22)21(38-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,35)(H,36,44)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-,43?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490797
(US10968242, Example 20 Peak 2)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)42-44(37,45)38-4-11-17(41-43(35,36)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15+,16+,17-,22-,44?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50587885
(CHEMBL5205277)Show SMILES [H][C@@]12[C@H](Cl)[C@H](Cl)CN1C(=O)[C@H](CC)NC(=O)C[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC)CC2=O)c1ccccc1 |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 | n/a | 53 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128101
BindingDB Entry DOI: 10.7270/Q2W95F4V |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490787
(US10968242, Example 16 Peak 1)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O10P2S/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)40-42(34,35)37-3-10-16(41-43(36,44)39-9)11(22)21(38-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,35)(H,36,44)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-,43?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50509411
(CHEMBL4552089)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C20H23N9O13P2/c21-15-9-16(23-3-22-15)28(5-26-9)19-12(31)13-8(40-19)2-38-44(35,36)42-14-11(30)7(1-37-43(33,34)41-13)39-20(14)29-6-27-10-17(29)24-4-25-18(10)32/h3-8,11-14,19-20,30-31H,1-2H2,(H,33,34)(H,35,36)(H2,21,22,23)(H,24,25,32)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | 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 | n/a | 64 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human STING-CTD (139-379) expressed in Escherichia coli BL21(D Escherichia ) cells by isothermal titration calorimetry |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115899
BindingDB Entry DOI: 10.7270/Q2NC64VF |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490792
(US10968242, Example 19 Peak 1)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12-,15-,16+,17-,22-,42?,43?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490771
(US10968242, Example 2 Peak 2)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O9P2S2/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)39-41(34,43)36-3-10-16(40-42(35,44)38-9)11(22)21(37-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,43)(H,35,44)(H2,23,24,25)/t8-,9+,10-,11-,14+,15+,16-,21-,41?,42?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490778
(US10968242, Example 7 Peak 1 | US10968242, Example...)Show SMILES Cc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM581007
(US11492367, Compound 1)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC2COP(O)(=O)OC3C(COP(O)(=O)OC1C2O)OC(C3O)c1cnc2c(N)nccn12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compounds were analyzed on an S200 biacore SPR instrument (GE Healthcare). E. coli produced truncated STING protein was immobilized on a series S str... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2B2805P |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM581008
(US11492367, Compound 2)Show SMILES CNc1ncnc2c(cnn12)C1OC2COP(O)(=O)OC3C(O)C(COP(O)(=O)OC2C1O)OC3n1cnc2c1nc(N)[nH]c2=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compounds were analyzed on an S200 biacore SPR instrument (GE Healthcare). E. coli produced truncated STING protein was immobilized on a series S str... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2B2805P |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490798
(US10968242, Example 21 Peak 1)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)41-43(35,36)38-4-11-17(42-44(37,45)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15-,16+,17-,22-,44?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490769
(US10968242, Example 1 Peak 4)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H23FN10O8P2S2/c21-10-15-9(36-20(10)31-6-29-12-17(23)25-4-27-19(12)31)2-35-40(33,42)38-14-7(1-8(13(14)32)37-41(34,43)39-15)30-5-28-11-16(22)24-3-26-18(11)30/h3-10,13-15,20,32H,1-2H2,(H,33,42)(H,34,43)(H2,22,24,26)(H2,23,25,27)/t7-,8+,9-,10+,13+,14+,15-,20-,40?,41?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490796
(US10968242, Example 20 Peak 1)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)42-44(37,45)38-4-11-17(41-43(35,36)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15-,16+,17-,22-,44?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 256 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50552399
(CHEMBL4762751)Show SMILES CCN(CC)CC.CCN(CC)CC.[H][C@]12COP(O)(=O)O[C@@]3([H])[C@@H](O[C@]([H])(COP(O)(=O)O[C@@]([H])([C@@H](O1)n1cnc4c(N)ncnc14)[C@@H]2O)[C@H]3O)n1cnc2c1nc[nH]c2=O |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 | n/a | 311 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human STING-CTD (139-379) expressed in Escherichia coli BL21(D Escherichia ) cells by isothermal titration calorimetry |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115899
BindingDB Entry DOI: 10.7270/Q2NC64VF |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490778
(US10968242, Example 7 Peak 1 | US10968242, Example...)Show SMILES Cc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 416 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490800
(9,9′-((4S,6R,7S,11aR,13R,14R,14aR,15R)-14-fl...)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O12P2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)42-44(35,36)39-4-11-17(43-45(37,38)41-10)12(23)22(40-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,38)/t9-,10+,11-,12-,15-,16+,17-,22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 449 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein [149-345]
(Human) | BDBM598393
(US11613525, Example 117)Show SMILES NC(=O)c1cc(F)c(OCc2c(sc3c(F)ccc(Br)c23)C(O)=O)c(F)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding interactions of ligands with STING proteins were quantified using Surface Plasmon Resonance (SPR) with a minimally biotinylated STING protein... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2W66QQ4 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490767
(US10968242, Example 1 Peak 3)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H23FN10O8P2S2/c21-10-15-9(36-20(10)31-6-29-12-17(23)25-4-27-19(12)31)2-35-40(33,42)38-14-7(1-8(13(14)32)37-41(34,43)39-15)30-5-28-11-16(22)24-3-26-18(11)30/h3-10,13-15,20,32H,1-2H2,(H,33,42)(H,34,43)(H2,22,24,26)(H2,23,25,27)/t7-,8+,9-,10+,13-,14+,15-,20-,40?,41?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein [149-345]
(Human) | BDBM598382
(US11613525, Example 100)Show SMILES NC(=O)c1cc(F)c(OCc2c(sc3c(Br)ccc(Cl)c23)C(O)=O)c(F)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding interactions of ligands with STING proteins were quantified using Surface Plasmon Resonance (SPR) with a minimally biotinylated STING protein... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2W66QQ4 |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50552398
(CHEMBL4746750)Show SMILES CCN(CC)CC.CCN(CC)CC.[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)n1cnc2c1nc[nH]c2=O |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 | n/a | 650 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human STING-CTD (139-379) expressed in Escherichia coli BL21(D Escherichia ) cells by isothermal titration calorimetry |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115899
BindingDB Entry DOI: 10.7270/Q2NC64VF |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM490793
(US10968242, Example 19 Peak 2)Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12-,15+,16+,17-,22-,42?,43?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K... |
US Patent US10968242 (2021)
BindingDB Entry DOI: 10.7270/Q27W6GB9 |
More data for this
Ligand-Target Pair | |
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