BindingDB logo
myBDB logout

PubMed code 31820985

Compile data set for download or QSAR
Found 101 hits of Enzyme Inhibition Constant Data   
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


(Human)		BDBM50506263
PNG
(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/an/a 5.5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of anti 6His antibody-labeled terbium cryptate binding to human wild-type full-length 6His-tagged d2-labeled STING measured after 4 hrs by...

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506258
PNG
(CHEMBL4441285)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C27H31N7O5/c1-4-34-21(13-17(2)32-34)25(36)31-26-30-20-14-19(24(28)35)15-22(38-3)23(20)33(26)12-8-11-29-27(37)39-16-18-9-6-5-7-10-18/h5-7,9-10,13-15H,4,8,11-12,16H2,1-3H3,(H2,28,35)(H,29,37)(H,30,31,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 582n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of anti 6His antibody-labeled terbium cryptate binding to human wild-type full-length 6His-tagged d2-labeled STING measured after 4 hrs by...

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506287
PNG
(CHEMBL4440230)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OCCCN3CCOCC3)c2n1CCCNC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H42N8O6/c1-3-41-27(19-23(2)38-41)31(43)37-32-36-26-20-25(30(34)42)21-28(46-16-8-12-39-14-17-45-18-15-39)29(26)40(32)13-7-11-35-33(44)47-22-24-9-5-4-6-10-24/h4-6,9-10,19-21H,3,7-8,11-18,22H2,1-2H3,(H2,34,42)(H,35,44)(H,36,37,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 937n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of anti 6His antibody-labeled terbium cryptate binding to human wild-type full-length 6His-tagged d2-labeled STING measured after 4 hrs by...

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506257
PNG
(CHEMBL4456973)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)OC(C)(C)C)C(N)=O
Show InChI InChI=1S/C24H33N7O5/c1-7-31-17(11-14(2)29-31)21(33)28-22-27-16-12-15(20(25)32)13-18(35-6)19(16)30(22)10-8-9-26-23(34)36-24(3,4)5/h11-13H,7-10H2,1-6H3,(H2,25,32)(H,26,34)(H,27,28,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.54E+3n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of anti 6His antibody-labeled terbium cryptate binding to human wild-type full-length 6His-tagged d2-labeled STING measured after 4 hrs by...

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506273
PNG
(CHEMBL4534434)
Show SMILES CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C18H22N6O2/c1-4-8-23-14-7-6-12(16(19)25)10-13(14)20-18(23)21-17(26)15-9-11(3)22-24(15)5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,19,25)(H,20,21,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.74E+3n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of anti 6His antibody-labeled terbium cryptate binding to human wild-type full-length 6His-tagged d2-labeled STING measured after 4 hrs by...

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506248
PNG
(CHEMBL4585905)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCN)C(N)=O
Show InChI InChI=1S/C19H25N7O3/c1-4-26-14(8-11(2)24-26)18(28)23-19-22-13-9-12(17(21)27)10-15(29-3)16(13)25(19)7-5-6-20/h8-10H,4-7,20H2,1-3H3,(H2,21,27)(H,22,23,28)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506253
PNG
(CHEMBL4590093)
Show SMILES COc1cc(cc2nc(NC(=O)C3CCCN3C)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C26H32N6O5/c1-31-12-6-10-20(31)24(34)30-25-29-19-14-18(23(27)33)15-21(36-2)22(19)32(25)13-7-11-28-26(35)37-16-17-8-4-3-5-9-17/h3-5,8-9,14-15,20H,6-7,10-13,16H2,1-2H3,(H2,27,33)(H,28,35)(H,29,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506255
PNG
(CHEMBL4437472)
Show SMILES CCCn1c(NC(=O)c2ccc3ccccc3n2)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C22H21N5O3/c1-3-10-27-19-17(11-14(20(23)28)12-18(19)30-2)25-22(27)26-21(29)16-9-8-13-6-4-5-7-15(13)24-16/h4-9,11-12H,3,10H2,1-2H3,(H2,23,28)(H,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506262
PNG
(CHEMBL4447368)
Show SMILES CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OC)c12)C(=O)OC
Show InChI InChI=1S/C20H25N5O4/c1-6-8-24-17-14(10-13(19(27)29-5)11-16(17)28-4)21-20(24)22-18(26)15-9-12(3)23-25(15)7-2/h9-11H,6-8H2,1-5H3,(H,21,22,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506270
PNG
(CHEMBL4465916)
Show SMILES CCCn1c(NC(=O)c2ccnn2CC)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C18H22N6O3/c1-4-8-23-15-12(9-11(16(19)25)10-14(15)27-3)21-18(23)22-17(26)13-6-7-20-24(13)5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,19,25)(H,21,22,26)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506278
PNG
(CHEMBL4516456)
Show SMILES COCCCOc1cc(cc2nc(NC(=O)c3ccccn3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C29H32N6O6/c1-39-15-8-16-40-24-18-21(26(30)36)17-23-25(24)35(28(33-23)34-27(37)22-11-5-6-12-31-22)14-7-13-32-29(38)41-19-20-9-3-2-4-10-20/h2-6,9-12,17-18H,7-8,13-16,19H2,1H3,(H2,30,36)(H,32,38)(H,33,34,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.90E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506282
PNG
(CHEMBL4446743)
Show SMILES COc1cc(cc2nc(NC(=O)CCc3ccccc3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C29H31N5O5/c1-38-24-18-22(27(30)36)17-23-26(24)34(16-8-15-31-29(37)39-19-21-11-6-3-7-12-21)28(32-23)33-25(35)14-13-20-9-4-2-5-10-20/h2-7,9-12,17-18H,8,13-16,19H2,1H3,(H2,30,36)(H,31,37)(H,32,33,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506252
PNG
(CHEMBL4445004)
Show SMILES COc1cc(cc2nc(NC(=O)c3ccccn3)n(CCCCNC(=O)OC(C)(C)C)c12)C(N)=O
Show InChI InChI=1S/C24H30N6O5/c1-24(2,3)35-23(33)27-11-7-8-12-30-19-17(13-15(20(25)31)14-18(19)34-4)28-22(30)29-21(32)16-9-5-6-10-26-16/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H2,25,31)(H,27,33)(H,28,29,32)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506289
PNG
(CHEMBL4456752)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)CCC(=O)OC)C(N)=O
Show InChI InChI=1S/C24H31N7O6/c1-5-31-17(11-14(2)29-31)23(35)28-24-27-16-12-15(22(25)34)13-18(36-3)21(16)30(24)10-6-9-26-19(32)7-8-20(33)37-4/h11-13H,5-10H2,1-4H3,(H2,25,34)(H,26,32)(H,27,28,35)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506265
PNG
(CHEMBL4469904)
Show SMILES COc1cc(cc2nc(NC(=O)c3ccccn3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C26H26N6O5/c1-36-21-15-18(23(27)33)14-20-22(21)32(25(30-20)31-24(34)19-10-5-6-11-28-19)13-7-12-29-26(35)37-16-17-8-3-2-4-9-17/h2-6,8-11,14-15H,7,12-13,16H2,1H3,(H2,27,33)(H,29,35)(H,30,31,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.28E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506291
PNG
(CHEMBL4457839)
Show SMILES COc1cc(cc2nc(NC(=O)c3nccc4ccccc34)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C30H28N6O5/c1-40-24-17-21(27(31)37)16-23-26(24)36(15-7-13-33-30(39)41-18-19-8-3-2-4-9-19)29(34-23)35-28(38)25-22-11-6-5-10-20(22)12-14-32-25/h2-6,8-12,14,16-17H,7,13,15,18H2,1H3,(H2,31,37)(H,33,39)(H,34,35,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506292
PNG
(CHEMBL4522794)
Show SMILES CCCn1c(NC(=O)c2ccnn2C)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C17H20N6O3/c1-4-7-23-14-11(8-10(15(18)24)9-13(14)26-3)20-17(23)21-16(25)12-5-6-19-22(12)2/h5-6,8-9H,4,7H2,1-3H3,(H2,18,24)(H,20,21,25)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506264
PNG
(CHEMBL4520179)
Show SMILES COc1cc(cc2nc(NC(=O)c3cccnn3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C25H25N7O5/c1-36-20-14-17(22(26)33)13-19-21(20)32(24(29-19)30-23(34)18-9-5-11-28-31-18)12-6-10-27-25(35)37-15-16-7-3-2-4-8-16/h2-5,7-9,11,13-14H,6,10,12,15H2,1H3,(H2,26,33)(H,27,35)(H,29,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506281
PNG
(CHEMBL4448366)
Show SMILES COc1cc(cc2nc(NC(=O)c3cncn3C)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C25H27N7O5/c1-31-15-27-13-19(31)23(34)30-24-29-18-11-17(22(26)33)12-20(36-2)21(18)32(24)10-6-9-28-25(35)37-14-16-7-4-3-5-8-16/h3-5,7-8,11-13,15H,6,9-10,14H2,1-2H3,(H2,26,33)(H,28,35)(H,29,30,34)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506278
PNG
(CHEMBL4516456)
Show SMILES COCCCOc1cc(cc2nc(NC(=O)c3ccccn3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C29H32N6O6/c1-39-15-8-16-40-24-18-21(26(30)36)17-23-25(24)35(28(33-23)34-27(37)22-11-5-6-12-31-22)14-7-13-32-29(38)41-19-20-9-3-2-4-10-20/h2-6,9-12,17-18H,7-8,13-16,19H2,1H3,(H2,30,36)(H,32,38)(H,33,34,37)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506270
PNG
(CHEMBL4465916)
Show SMILES CCCn1c(NC(=O)c2ccnn2CC)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C18H22N6O3/c1-4-8-23-15-12(9-11(16(19)25)10-14(15)27-3)21-18(23)22-17(26)13-6-7-20-24(13)5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,19,25)(H,21,22,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506260
PNG
(CHEMBL4462014)
Show SMILES COc1cc(cc2nc(NC(=O)c3ccnn3C)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C25H27N7O5/c1-31-19(9-11-28-31)23(34)30-24-29-18-13-17(22(26)33)14-20(36-2)21(18)32(24)12-6-10-27-25(35)37-15-16-7-4-3-5-8-16/h3-5,7-9,11,13-14H,6,10,12,15H2,1-2H3,(H2,26,33)(H,27,35)(H,29,30,34)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506267
PNG
(CHEMBL4471585)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)OCc1ccccc1)C(=O)OC
Show InChI InChI=1S/C28H32N6O6/c1-5-34-22(14-18(2)32-34)25(35)31-27-30-21-15-20(26(36)39-4)16-23(38-3)24(21)33(27)13-9-12-29-28(37)40-17-19-10-7-6-8-11-19/h6-8,10-11,14-16H,5,9,12-13,17H2,1-4H3,(H,29,37)(H,30,31,35)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.76E+4n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506271
PNG
(CHEMBL4441427)
Show SMILES CCCn1c(NC(=O)c2ccccn2)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C18H19N5O3/c1-3-8-23-15-13(9-11(16(19)24)10-14(15)26-2)21-18(23)22-17(25)12-6-4-5-7-20-12/h4-7,9-10H,3,8H2,1-2H3,(H2,19,24)(H,21,22,25)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506272
PNG
(CHEMBL4460061)
Show SMILES CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cccc(OC)c12
Show InChI InChI=1S/C18H23N5O2/c1-5-10-22-16-13(8-7-9-15(16)25-4)19-18(22)20-17(24)14-11-12(3)21-23(14)6-2/h7-9,11H,5-6,10H2,1-4H3,(H,19,20,24)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506273
PNG
(CHEMBL4534434)
Show SMILES CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C18H22N6O2/c1-4-8-23-14-7-6-12(16(19)25)10-13(14)20-18(23)21-17(26)15-9-11(3)22-24(15)5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,19,25)(H,20,21,26)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506275
PNG
(CHEMBL4455106)
Show SMILES NC(=O)c1cc(OCCCN2CCOCC2)c2n(CCCNC(=O)OCc3ccccc3)c(NC(=O)c3cccnn3)nc2c1
Show InChI InChI=1S/C31H36N8O6/c32-28(40)23-19-25-27(26(20-23)44-16-6-12-38-14-17-43-18-15-38)39(30(35-25)36-29(41)24-9-4-11-34-37-24)13-5-10-33-31(42)45-21-22-7-2-1-3-8-22/h1-4,7-9,11,19-20H,5-6,10,12-18,21H2,(H2,32,40)(H,33,42)(H,35,36,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506276
PNG
(CHEMBL4593731)
Show SMILES NC(=O)c1cc(OCCCN2CCOCC2)c2n(CCCNC(=O)OCc3ccccc3)c(NC(=O)c3ccccn3)nc2c1
Show InChI InChI=1S/C32H37N7O6/c33-29(40)24-20-26-28(27(21-24)44-17-7-13-38-15-18-43-19-16-38)39(31(36-26)37-30(41)25-10-4-5-11-34-25)14-6-12-35-32(42)45-22-23-8-2-1-3-9-23/h1-5,8-11,20-21H,6-7,12-19,22H2,(H2,33,40)(H,35,42)(H,36,37,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506277
PNG
(CHEMBL4473315)
Show SMILES COCCCOc1cc(cc2nc(NC(=O)c3cccnn3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C28H31N7O6/c1-39-14-7-15-40-23-17-20(25(29)36)16-22-24(23)35(27(32-22)33-26(37)21-10-5-12-31-34-21)13-6-11-30-28(38)41-18-19-8-3-2-4-9-19/h2-5,8-10,12,16-17H,6-7,11,13-15,18H2,1H3,(H2,29,36)(H,30,38)(H,32,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506281
PNG
(CHEMBL4448366)
Show SMILES COc1cc(cc2nc(NC(=O)c3cncn3C)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C25H27N7O5/c1-31-15-27-13-19(31)23(34)30-24-29-18-11-17(22(26)33)12-20(36-2)21(18)32(24)10-6-9-28-25(35)37-14-16-7-4-3-5-8-16/h3-5,7-8,11-13,15H,6,9-10,14H2,1-2H3,(H2,26,33)(H,28,35)(H,29,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506283
PNG
(CHEMBL4468597)
Show SMILES COc1cc(cc2nc(NC(=O)c3cccn3C)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C26H28N6O5/c1-31-12-6-10-20(31)24(34)30-25-29-19-14-18(23(27)33)15-21(36-2)22(19)32(25)13-7-11-28-26(35)37-16-17-8-4-3-5-9-17/h3-6,8-10,12,14-15H,7,11,13,16H2,1-2H3,(H2,27,33)(H,28,35)(H,29,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506286
PNG
(CHEMBL4569076)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)CCc1cccnc1)C(N)=O
Show InChI InChI=1S/C27H32N8O4/c1-4-35-21(13-17(2)33-35)26(38)32-27-31-20-14-19(25(28)37)15-22(39-3)24(20)34(27)12-6-11-30-23(36)9-8-18-7-5-10-29-16-18/h5,7,10,13-16H,4,6,8-9,11-12H2,1-3H3,(H2,28,37)(H,30,36)(H,31,32,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.95E+4n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506276
PNG
(CHEMBL4593731)
Show SMILES NC(=O)c1cc(OCCCN2CCOCC2)c2n(CCCNC(=O)OCc3ccccc3)c(NC(=O)c3ccccn3)nc2c1
Show InChI InChI=1S/C32H37N7O6/c33-29(40)24-20-26-28(27(21-24)44-17-7-13-38-15-18-43-19-16-38)39(31(36-26)37-30(41)25-10-4-5-11-34-25)14-6-12-35-32(42)45-22-23-8-2-1-3-9-23/h1-5,8-11,20-21H,6-7,12-19,22H2,(H2,33,40)(H,35,42)(H,36,37,41)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506279
PNG
(CHEMBL4540261)
Show SMILES COc1cc(cc2nc(NC(=O)c3cccnn3)n(CCCCNC(=O)OC(C)(C)C)c12)C(N)=O
Show InChI InChI=1S/C23H29N7O5/c1-23(2,3)35-22(33)25-9-5-6-11-30-18-16(12-14(19(24)31)13-17(18)34-4)27-21(30)28-20(32)15-8-7-10-26-29-15/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H2,24,31)(H,25,33)(H,27,28,32)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506266
PNG
(CHEMBL4570758)
Show SMILES COc1cc(cc2nc(NC(=O)c3ccc4ccccc4n3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C30H28N6O5/c1-40-25-17-21(27(31)37)16-24-26(25)36(15-7-14-32-30(39)41-18-19-8-3-2-4-9-19)29(34-24)35-28(38)23-13-12-20-10-5-6-11-22(20)33-23/h2-6,8-13,16-17H,7,14-15,18H2,1H3,(H2,31,37)(H,32,39)(H,34,35,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506267
PNG
(CHEMBL4471585)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)OCc1ccccc1)C(=O)OC
Show InChI InChI=1S/C28H32N6O6/c1-5-34-22(14-18(2)32-34)25(35)31-27-30-21-15-20(26(36)39-4)16-23(38-3)24(21)33(27)13-9-12-29-28(37)40-17-19-10-7-6-8-11-19/h6-8,10-11,14-16H,5,9,12-13,17H2,1-4H3,(H,29,37)(H,30,31,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.07E+4n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506268
PNG
(CHEMBL4551388)
Show SMILES CCCn1c(NC(=O)c2cc3ccccc3n2C)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C22H23N5O3/c1-4-9-27-19-15(10-14(20(23)28)12-18(19)30-3)24-22(27)25-21(29)17-11-13-7-5-6-8-16(13)26(17)2/h5-8,10-12H,4,9H2,1-3H3,(H2,23,28)(H,24,25,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506253
PNG
(CHEMBL4590093)
Show SMILES COc1cc(cc2nc(NC(=O)C3CCCN3C)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C26H32N6O5/c1-31-12-6-10-20(31)24(34)30-25-29-19-14-18(23(27)33)15-21(36-2)22(19)32(25)13-7-11-28-26(35)37-16-17-8-4-3-5-9-17/h3-5,8-9,14-15,20H,6-7,10-13,16H2,1-2H3,(H2,27,33)(H,28,35)(H,29,30,34)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506288
PNG
(CHEMBL4516920)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C23H29N7O6/c1-4-30-16(10-13(2)28-30)22(35)27-23-26-15-11-14(21(24)34)12-17(36-3)20(15)29(23)9-5-8-25-18(31)6-7-19(32)33/h10-12H,4-9H2,1-3H3,(H2,24,34)(H,25,31)(H,32,33)(H,26,27,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506251
PNG
(CHEMBL4437023)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(ccc2n1CCCNC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C26H29N7O4/c1-3-33-22(14-17(2)31-33)24(35)30-25-29-20-15-19(23(27)34)10-11-21(20)32(25)13-7-12-28-26(36)37-16-18-8-5-4-6-9-18/h4-6,8-11,14-15H,3,7,12-13,16H2,1-2H3,(H2,27,34)(H,28,36)(H,29,30,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506280
PNG
(CHEMBL4476288)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)CCc1cc(OC)c(OC)c(OC)c1)C(N)=O
Show InChI InChI=1S/C31H39N7O7/c1-7-38-22(13-18(2)36-38)30(41)35-31-34-21-16-20(29(32)40)17-23(42-3)27(21)37(31)12-8-11-33-26(39)10-9-19-14-24(43-4)28(45-6)25(15-19)44-5/h13-17H,7-12H2,1-6H3,(H2,32,40)(H,33,39)(H,34,35,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506285
PNG
(CHEMBL4591496)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)C(C)(C)C)C(N)=O
Show InChI InChI=1S/C24H33N7O4/c1-7-31-17(11-14(2)29-31)21(33)28-23-27-16-12-15(20(25)32)13-18(35-6)19(16)30(23)10-8-9-26-22(34)24(3,4)5/h11-13H,7-10H2,1-6H3,(H2,25,32)(H,26,34)(H,27,28,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.75E+4n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506274
PNG
(CHEMBL4586844)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cnc2n1CCCNC(=O)OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C22H29N7O5/c1-6-29-16(10-13(2)27-29)18(30)26-20-25-15-11-14(19(31)32)12-24-17(15)28(20)9-7-8-23-21(33)34-22(3,4)5/h10-12H,6-9H2,1-5H3,(H,23,33)(H,31,32)(H,25,26,30)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506288
PNG
(CHEMBL4516920)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C23H29N7O6/c1-4-30-16(10-13(2)28-30)22(35)27-23-26-15-11-14(21(24)34)12-17(36-3)20(15)29(23)9-5-8-25-18(31)6-7-19(32)33/h10-12H,4-9H2,1-3H3,(H2,24,34)(H,25,31)(H,32,33)(H,26,27,35)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506285
PNG
(CHEMBL4591496)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)C(C)(C)C)C(N)=O
Show InChI InChI=1S/C24H33N7O4/c1-7-31-17(11-14(2)29-31)21(33)28-23-27-16-12-15(20(25)32)13-18(35-6)19(16)30(23)10-8-9-26-22(34)24(3,4)5/h11-13H,7-10H2,1-6H3,(H2,25,32)(H,26,34)(H,27,28,33)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506284
PNG
(CHEMBL4572190)
Show SMILES COc1cc(cc2nc(NC(=O)C3CCN(C)CC3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C27H34N6O5/c1-32-13-9-19(10-14-32)25(35)31-26-30-21-15-20(24(28)34)16-22(37-2)23(21)33(26)12-6-11-29-27(36)38-17-18-7-4-3-5-8-18/h3-5,7-8,15-16,19H,6,9-14,17H2,1-2H3,(H2,28,34)(H,29,36)(H,30,31,35)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506287
PNG
(CHEMBL4440230)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OCCCN3CCOCC3)c2n1CCCNC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H42N8O6/c1-3-41-27(19-23(2)38-41)31(43)37-32-36-26-20-25(30(34)42)21-28(46-16-8-12-39-14-17-45-18-15-39)29(26)40(32)13-7-11-35-33(44)47-22-24-9-5-4-6-10-24/h4-6,9-10,19-21H,3,7-8,11-18,22H2,1-2H3,(H2,34,42)(H,35,44)(H,36,37,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.11E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human PBMC cells assessed as increase in IFNbeta release measured after 4 hrs by ELISA

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506271
PNG
(CHEMBL4441427)
Show SMILES CCCn1c(NC(=O)c2ccccn2)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C18H19N5O3/c1-3-8-23-15-13(9-11(16(19)24)10-14(15)26-2)21-18(23)22-17(25)12-6-4-5-7-20-12/h4-7,9-10H,3,8H2,1-2H3,(H2,19,24)(H,21,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506291
PNG
(CHEMBL4457839)
Show SMILES COc1cc(cc2nc(NC(=O)c3nccc4ccccc34)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C30H28N6O5/c1-40-24-17-21(27(31)37)16-23-26(24)36(15-7-13-33-30(39)41-18-19-8-3-2-4-9-19)29(34-23)35-28(38)25-22-11-6-5-10-20(22)12-14-32-25/h2-6,8-12,14,16-17H,7,13,15,18H2,1H3,(H2,31,37)(H,33,39)(H,34,35,38)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506248
PNG
(CHEMBL4585905)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCN)C(N)=O
Show InChI InChI=1S/C19H25N7O3/c1-4-26-14(8-11(2)24-26)18(28)23-19-22-13-9-12(17(21)27)10-15(29-3)16(13)25(19)7-5-6-20/h8-10H,4-7,20H2,1-3H3,(H2,21,27)(H,22,23,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506293
PNG
(CHEMBL4468364)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)c1ccccc1)C(N)=O
Show InChI InChI=1S/C26H29N7O4/c1-4-33-20(13-16(2)31-33)25(36)30-26-29-19-14-18(23(27)34)15-21(37-3)22(19)32(26)12-8-11-28-24(35)17-9-6-5-7-10-17/h5-7,9-10,13-15H,4,8,11-12H2,1-3H3,(H2,27,34)(H,28,35)(H,29,30,36)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506283
PNG
(CHEMBL4468597)
Show SMILES COc1cc(cc2nc(NC(=O)c3cccn3C)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C26H28N6O5/c1-31-12-6-10-20(31)24(34)30-25-29-19-14-18(23(27)33)15-21(36-2)22(19)32(25)13-7-11-28-26(35)37-16-17-8-4-3-5-9-17/h3-6,8-10,12,14-15H,7,11,13,16H2,1-2H3,(H2,27,33)(H,28,35)(H,29,30,34)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506256
PNG
(CHEMBL4443810)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cnc2n1CCCNC(=O)OC(C)(C)C)C(=O)OC
Show InChI InChI=1S/C23H31N7O5/c1-7-30-17(11-14(2)28-30)19(31)27-21-26-16-12-15(20(32)34-6)13-25-18(16)29(21)10-8-9-24-22(33)35-23(3,4)5/h11-13H,7-10H2,1-6H3,(H,24,33)(H,26,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506258
PNG
(CHEMBL4441285)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C27H31N7O5/c1-4-34-21(13-17(2)32-34)25(36)31-26-30-20-14-19(24(28)35)15-22(38-3)23(20)33(26)12-8-11-29-27(37)39-16-18-9-6-5-7-10-18/h5-7,9-10,13-15H,4,8,11-12,16H2,1-3H3,(H2,28,35)(H,29,37)(H,30,31,36)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506284
PNG
(CHEMBL4572190)
Show SMILES COc1cc(cc2nc(NC(=O)C3CCN(C)CC3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C27H34N6O5/c1-32-13-9-19(10-14-32)25(35)31-26-30-21-15-20(24(28)34)16-22(37-2)23(21)33(26)12-6-11-29-27(36)38-17-18-7-4-3-5-8-18/h3-5,7-8,15-16,19H,6,9-14,17H2,1-2H3,(H2,28,34)(H,29,36)(H,30,31,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506277
PNG
(CHEMBL4473315)
Show SMILES COCCCOc1cc(cc2nc(NC(=O)c3cccnn3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C28H31N7O6/c1-39-14-7-15-40-23-17-20(25(29)36)16-22-24(23)35(27(32-22)33-26(37)21-10-5-12-31-34-21)13-6-11-30-28(38)41-18-19-8-3-2-4-9-19/h2-5,8-10,12,16-17H,6-7,11,13-15,18H2,1H3,(H2,29,36)(H,30,38)(H,32,33,37)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506250
PNG
(CHEMBL4585137)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cnc2n1CCCNC(=O)OC(C)(C)C)C(N)=O
Show InChI InChI=1S/C22H30N8O4/c1-6-30-16(10-13(2)28-30)19(32)27-20-26-15-11-14(17(23)31)12-25-18(15)29(20)9-7-8-24-21(33)34-22(3,4)5/h10-12H,6-9H2,1-5H3,(H2,23,31)(H,24,33)(H,26,27,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506294
PNG
(CHEMBL4550531)
Show SMILES COc1cc(cc2nc(NC(=O)c3cc4ccccc4n3C)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C30H30N6O5/c1-35-23-12-7-6-11-20(23)16-24(35)28(38)34-29-33-22-15-21(27(31)37)17-25(40-2)26(22)36(29)14-8-13-32-30(39)41-18-19-9-4-3-5-10-19/h3-7,9-12,15-17H,8,13-14,18H2,1-2H3,(H2,31,37)(H,32,39)(H,33,34,38)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506273
PNG
(CHEMBL4534434)
Show SMILES CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C18H22N6O2/c1-4-8-23-14-7-6-12(16(19)25)10-13(14)20-18(23)21-17(26)15-9-11(3)22-24(15)5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,19,25)(H,20,21,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.30E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506249
PNG
(CHEMBL4471654)
Show SMILES CCCn1c(NC(=O)CCc2ccccc2)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C21H24N4O3/c1-3-11-25-19-16(12-15(20(22)27)13-17(19)28-2)23-21(25)24-18(26)10-9-14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3,(H2,22,27)(H,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506263
PNG
(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

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506289
PNG
(CHEMBL4456752)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)CCC(=O)OC)C(N)=O
Show InChI InChI=1S/C24H31N7O6/c1-5-31-17(11-14(2)29-31)23(35)28-24-27-16-12-15(22(25)34)13-18(36-3)21(16)30(24)10-6-9-26-19(32)7-8-20(33)37-4/h11-13H,5-10H2,1-4H3,(H2,25,34)(H,26,32)(H,27,28,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506254
PNG
(CHEMBL4562440)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cccc(OC)c2n1CCCNC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H30N6O4/c1-4-32-21(16-18(2)30-32)24(33)29-25-28-20-12-8-13-22(35-3)23(20)31(25)15-9-14-27-26(34)36-17-19-10-6-5-7-11-19/h5-8,10-13,16H,4,9,14-15,17H2,1-3H3,(H,27,34)(H,28,29,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506260
PNG
(CHEMBL4462014)
Show SMILES COc1cc(cc2nc(NC(=O)c3ccnn3C)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C25H27N7O5/c1-31-19(9-11-28-31)23(34)30-24-29-18-13-17(22(26)33)14-20(36-2)21(18)32(24)12-6-10-27-25(35)37-15-16-7-4-3-5-8-16/h3-5,7-9,11,13-14H,6,10,12,15H2,1-2H3,(H2,26,33)(H,27,35)(H,29,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506264
PNG
(CHEMBL4520179)
Show SMILES COc1cc(cc2nc(NC(=O)c3cccnn3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C25H25N7O5/c1-36-20-14-17(22(26)33)13-19-21(20)32(24(29-19)30-23(34)18-9-5-11-28-31-18)12-6-10-27-25(35)37-15-16-7-3-2-4-8-16/h2-5,7-9,11,13-14H,6,10,12,15H2,1H3,(H2,26,33)(H,27,35)(H,29,30,34)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506279
PNG
(CHEMBL4540261)
Show SMILES COc1cc(cc2nc(NC(=O)c3cccnn3)n(CCCCNC(=O)OC(C)(C)C)c12)C(N)=O
Show InChI InChI=1S/C23H29N7O5/c1-23(2,3)35-22(33)25-9-5-6-11-30-18-16(12-14(19(24)31)13-17(18)34-4)27-21(30)28-20(32)15-8-7-10-26-29-15/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H2,24,31)(H,25,33)(H,27,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.85E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506257
PNG
(CHEMBL4456973)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)OC(C)(C)C)C(N)=O
Show InChI InChI=1S/C24H33N7O5/c1-7-31-17(11-14(2)29-31)21(33)28-22-27-16-12-15(20(25)32)13-18(35-6)19(16)30(22)10-8-9-26-23(34)36-24(3,4)5/h11-13H,7-10H2,1-6H3,(H2,25,32)(H,26,34)(H,27,28,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.24E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506256
PNG
(CHEMBL4443810)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cnc2n1CCCNC(=O)OC(C)(C)C)C(=O)OC
Show InChI InChI=1S/C23H31N7O5/c1-7-30-17(11-14(2)28-30)19(31)27-21-26-16-12-15(20(32)34-6)13-25-18(16)29(21)10-8-9-24-22(33)35-23(3,4)5/h11-13H,7-10H2,1-6H3,(H,24,33)(H,26,27,31)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506280
PNG
(CHEMBL4476288)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)CCc1cc(OC)c(OC)c(OC)c1)C(N)=O
Show InChI InChI=1S/C31H39N7O7/c1-7-38-22(13-18(2)36-38)30(41)35-31-34-21-16-20(29(32)40)17-23(42-3)27(21)37(31)12-8-11-33-26(39)10-9-19-14-24(43-4)28(45-6)25(15-19)44-5/h13-17H,7-12H2,1-6H3,(H2,32,40)(H,33,39)(H,34,35,41)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506269
PNG
(CHEMBL4584615)
Show SMILES CCCn1c(NC(=O)c2cncn2C)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C17H20N6O3/c1-4-5-23-14-11(6-10(15(18)24)7-13(14)26-3)20-17(23)21-16(25)12-8-19-9-22(12)2/h6-9H,4-5H2,1-3H3,(H2,18,24)(H,20,21,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506290
PNG
(CHEMBL4524336)
Show SMILES CCCn1c(NC(=O)c2cccnn2)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C17H18N6O3/c1-3-7-23-14-12(8-10(15(18)24)9-13(14)26-2)20-17(23)21-16(25)11-5-4-6-19-22-11/h4-6,8-9H,3,7H2,1-2H3,(H2,18,24)(H,20,21,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506293
PNG
(CHEMBL4468364)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)c1ccccc1)C(N)=O
Show InChI InChI=1S/C26H29N7O4/c1-4-33-20(13-16(2)31-33)25(36)30-26-29-19-14-18(23(27)34)15-21(37-3)22(19)32(26)12-8-11-28-24(35)17-9-6-5-7-10-17/h5-7,9-10,13-15H,4,8,11-12H2,1-3H3,(H2,27,34)(H,28,35)(H,29,30,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506290
PNG
(CHEMBL4524336)
Show SMILES CCCn1c(NC(=O)c2cccnn2)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C17H18N6O3/c1-3-7-23-14-12(8-10(15(18)24)9-13(14)26-2)20-17(23)21-16(25)11-5-4-6-19-22-11/h4-6,8-9H,3,7H2,1-2H3,(H2,18,24)(H,20,21,25)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506250
PNG
(CHEMBL4585137)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cnc2n1CCCNC(=O)OC(C)(C)C)C(N)=O
Show InChI InChI=1S/C22H30N8O4/c1-6-30-16(10-13(2)28-30)19(32)27-20-26-15-11-14(17(23)31)12-25-18(15)29(20)9-7-8-24-21(33)34-22(3,4)5/h10-12H,6-9H2,1-5H3,(H2,23,31)(H,24,33)(H,26,27,32)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506252
PNG
(CHEMBL4445004)
Show SMILES COc1cc(cc2nc(NC(=O)c3ccccn3)n(CCCCNC(=O)OC(C)(C)C)c12)C(N)=O
Show InChI InChI=1S/C24H30N6O5/c1-24(2,3)35-23(33)27-11-7-8-12-30-19-17(13-15(20(25)31)14-18(19)34-4)28-22(30)29-21(32)16-9-5-6-10-26-16/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H2,25,31)(H,27,33)(H,28,29,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.00E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506258
PNG
(CHEMBL4441285)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C27H31N7O5/c1-4-34-21(13-17(2)32-34)25(36)31-26-30-20-14-19(24(28)35)15-22(38-3)23(20)33(26)12-8-11-29-27(37)39-16-18-9-6-5-7-10-18/h5-7,9-10,13-15H,4,8,11-12,16H2,1-3H3,(H2,28,35)(H,29,37)(H,30,31,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 872n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506263
PNG
(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/an/an/an/a 3.86E+4n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506259
PNG
(CHEMBL4589243)
Show SMILES CCn1nccc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C26H29N7O5/c1-3-33-20(10-12-29-33)24(35)31-25-30-19-14-18(23(27)34)15-21(37-2)22(19)32(25)13-7-11-28-26(36)38-16-17-8-5-4-6-9-17/h4-6,8-10,12,14-15H,3,7,11,13,16H2,1-2H3,(H2,27,34)(H,28,36)(H,30,31,35)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506265
PNG
(CHEMBL4469904)
Show SMILES COc1cc(cc2nc(NC(=O)c3ccccn3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C26H26N6O5/c1-36-21-15-18(23(27)33)14-20-22(21)32(25(30-20)31-24(34)19-10-5-6-11-28-19)13-7-12-29-26(35)37-16-17-8-3-2-4-9-17/h2-6,8-11,14-15H,7,12-13,16H2,1H3,(H2,27,33)(H,29,35)(H,30,31,34)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506274
PNG
(CHEMBL4586844)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cnc2n1CCCNC(=O)OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C22H29N7O5/c1-6-29-16(10-13(2)27-29)18(30)26-20-25-15-11-14(19(31)32)12-24-17(15)28(20)9-7-8-23-21(33)34-22(3,4)5/h10-12H,6-9H2,1-5H3,(H,23,33)(H,31,32)(H,25,26,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506272
PNG
(CHEMBL4460061)
Show SMILES CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cccc(OC)c12
Show InChI InChI=1S/C18H23N5O2/c1-5-10-22-16-13(8-7-9-15(16)25-4)19-18(22)20-17(24)14-11-12(3)21-23(14)6-2/h7-9,11H,5-6,10H2,1-4H3,(H,19,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506282
PNG
(CHEMBL4446743)
Show SMILES COc1cc(cc2nc(NC(=O)CCc3ccccc3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C29H31N5O5/c1-38-24-18-22(27(30)36)17-23-26(24)34(16-8-15-31-29(37)39-19-21-11-6-3-7-12-21)28(32-23)33-25(35)14-13-20-9-4-2-5-10-20/h2-7,9-12,17-18H,8,13-16,19H2,1H3,(H2,30,36)(H,31,37)(H,32,33,35)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506294
PNG
(CHEMBL4550531)
Show SMILES COc1cc(cc2nc(NC(=O)c3cc4ccccc4n3C)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C30H30N6O5/c1-35-23-12-7-6-11-20(23)16-24(35)28(38)34-29-33-22-15-21(27(31)37)17-25(40-2)26(22)36(29)14-8-13-32-30(39)41-18-19-9-4-3-5-10-19/h3-7,9-12,15-17H,8,13-14,18H2,1-2H3,(H2,31,37)(H,32,39)(H,33,34,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506254
PNG
(CHEMBL4562440)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cccc(OC)c2n1CCCNC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H30N6O4/c1-4-32-21(16-18(2)30-32)24(33)29-25-28-20-12-8-13-22(35-3)23(20)31(25)15-9-14-27-26(34)36-17-19-10-6-5-7-11-19/h5-8,10-13,16H,4,9,14-15,17H2,1-3H3,(H,27,34)(H,28,29,33)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506257
PNG
(CHEMBL4456973)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)OC(C)(C)C)C(N)=O
Show InChI InChI=1S/C24H33N7O5/c1-7-31-17(11-14(2)29-31)21(33)28-22-27-16-12-15(20(25)32)13-18(35-6)19(16)30(22)10-8-9-26-23(34)36-24(3,4)5/h11-13H,7-10H2,1-6H3,(H2,25,32)(H,26,34)(H,27,28,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.79E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human PBMC cells assessed as increase in IFNbeta release measured after 4 hrs by ELISA

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506259
PNG
(CHEMBL4589243)
Show SMILES CCn1nccc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C26H29N7O5/c1-3-33-20(10-12-29-33)24(35)31-25-30-19-14-18(23(27)34)15-21(37-2)22(19)32(25)13-7-11-28-26(36)38-16-17-8-5-4-6-9-17/h4-6,8-10,12,14-15H,3,7,11,13,16H2,1-2H3,(H2,27,34)(H,28,36)(H,30,31,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506261
PNG
(CHEMBL4513901)
Show SMILES CCCn1c(NC(=O)c2nccc3ccccc23)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C22H21N5O3/c1-3-10-27-19-16(11-14(20(23)28)12-17(19)30-2)25-22(27)26-21(29)18-15-7-5-4-6-13(15)8-9-24-18/h4-9,11-12H,3,10H2,1-2H3,(H2,23,28)(H,25,26,29)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506292
PNG
(CHEMBL4522794)
Show SMILES CCCn1c(NC(=O)c2ccnn2C)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C17H20N6O3/c1-4-7-23-14-11(8-10(15(18)24)9-13(14)26-3)20-17(23)21-16(25)12-5-6-19-22(12)2/h5-6,8-9H,4,7H2,1-3H3,(H2,18,24)(H,20,21,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506262
PNG
(CHEMBL4447368)
Show SMILES CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OC)c12)C(=O)OC
Show InChI InChI=1S/C20H25N5O4/c1-6-8-24-17-14(10-13(19(27)29-5)11-16(17)28-4)21-20(24)22-18(26)15-9-12(3)23-25(15)7-2/h9-11H,6-8H2,1-5H3,(H,21,22,26)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506287
PNG
(CHEMBL4440230)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OCCCN3CCOCC3)c2n1CCCNC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H42N8O6/c1-3-41-27(19-23(2)38-41)31(43)37-32-36-26-20-25(30(34)42)21-28(46-16-8-12-39-14-17-45-18-15-39)29(26)40(32)13-7-11-35-33(44)47-22-24-9-5-4-6-10-24/h4-6,9-10,19-21H,3,7-8,11-18,22H2,1-2H3,(H2,34,42)(H,35,44)(H,36,37,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.14E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506275
PNG
(CHEMBL4455106)
Show SMILES NC(=O)c1cc(OCCCN2CCOCC2)c2n(CCCNC(=O)OCc3ccccc3)c(NC(=O)c3cccnn3)nc2c1
Show InChI InChI=1S/C31H36N8O6/c32-28(40)23-19-25-27(26(20-23)44-16-6-12-38-14-17-43-18-15-38)39(30(35-25)36-29(41)24-9-4-11-34-37-24)13-5-10-33-31(42)45-21-22-7-2-1-3-8-22/h1-4,7-9,11,19-20H,5-6,10,12-18,21H2,(H2,32,40)(H,33,42)(H,35,36,41)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506249
PNG
(CHEMBL4471654)
Show SMILES CCCn1c(NC(=O)CCc2ccccc2)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C21H24N4O3/c1-3-11-25-19-16(12-15(20(22)27)13-17(19)28-2)23-21(25)24-18(26)10-9-14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3,(H2,22,27)(H,23,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506251
PNG
(CHEMBL4437023)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(ccc2n1CCCNC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C26H29N7O4/c1-3-33-22(14-17(2)31-33)24(35)30-25-29-20-15-19(23(27)34)10-11-21(20)32(25)13-7-12-28-26(36)37-16-18-8-5-4-6-9-18/h4-6,8-11,14-15H,3,7,12-13,16H2,1-2H3,(H2,27,34)(H,28,36)(H,29,30,35)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506255
PNG
(CHEMBL4437472)
Show SMILES CCCn1c(NC(=O)c2ccc3ccccc3n2)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C22H21N5O3/c1-3-10-27-19-17(11-14(20(23)28)12-18(19)30-2)25-22(27)26-21(29)16-9-8-13-6-4-5-7-15(13)24-16/h4-9,11-12H,3,10H2,1-2H3,(H2,23,28)(H,25,26,29)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506261
PNG
(CHEMBL4513901)
Show SMILES CCCn1c(NC(=O)c2nccc3ccccc23)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C22H21N5O3/c1-3-10-27-19-16(11-14(20(23)28)12-17(19)30-2)25-22(27)26-21(29)18-15-7-5-4-6-13(15)8-9-24-18/h4-9,11-12H,3,10H2,1-2H3,(H2,23,28)(H,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506266
PNG
(CHEMBL4570758)
Show SMILES COc1cc(cc2nc(NC(=O)c3ccc4ccccc4n3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show InChI InChI=1S/C30H28N6O5/c1-40-25-17-21(27(31)37)16-24-26(25)36(15-7-14-32-30(39)41-18-19-8-3-2-4-9-19)29(34-24)35-28(38)23-13-12-20-10-5-6-11-22(20)33-23/h2-6,8-13,16-17H,7,14-15,18H2,1H3,(H2,31,37)(H,32,39)(H,34,35,38)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506268
PNG
(CHEMBL4551388)
Show SMILES CCCn1c(NC(=O)c2cc3ccccc3n2C)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C22H23N5O3/c1-4-9-27-19-15(10-14(20(23)28)12-18(19)30-3)24-22(27)25-21(29)17-11-13-7-5-6-8-16(13)26(17)2/h5-8,10-12H,4,9H2,1-3H3,(H2,23,28)(H,24,25,29)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506269
PNG
(CHEMBL4584615)
Show SMILES CCCn1c(NC(=O)c2cncn2C)nc2cc(cc(OC)c12)C(N)=O
Show InChI InChI=1S/C17H20N6O3/c1-4-5-23-14-11(6-10(15(18)24)7-13(14)26-3)20-17(23)21-16(25)12-8-19-9-22(12)2/h6-9H,4-5H2,1-3H3,(H2,18,24)(H,20,21,25)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506287
PNG
(CHEMBL4440230)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OCCCN3CCOCC3)c2n1CCCNC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H42N8O6/c1-3-41-27(19-23(2)38-41)31(43)37-32-36-26-20-25(30(34)42)21-28(46-16-8-12-39-14-17-45-18-15-39)29(26)40(32)13-7-11-35-33(44)47-22-24-9-5-4-6-10-24/h4-6,9-10,19-21H,3,7-8,11-18,22H2,1-2H3,(H2,34,42)(H,35,44)(H,36,37,43)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506286
PNG
(CHEMBL4569076)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)CCc1cccnc1)C(N)=O
Show InChI InChI=1S/C27H32N8O4/c1-4-35-21(13-17(2)33-35)26(38)32-27-31-20-14-19(25(28)37)15-22(39-3)24(20)34(27)12-6-11-30-23(36)9-8-18-7-5-10-29-16-18/h5,7,10,13-16H,4,6,8-9,11-12H2,1-3H3,(H2,28,37)(H,30,36)(H,31,32,38)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
Interferon regulatory factor 3


(Homo sapiens)		BDBM50506257
PNG
(CHEMBL4456973)
Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)OC(C)(C)C)C(N)=O
Show InChI InChI=1S/C24H33N7O5/c1-7-31-17(11-14(2)29-31)21(33)28-22-27-16-12-15(20(25)32)13-18(35-6)19(16)30(22)10-8-9-26-23(34)36-24(3,4)5/h11-13H,7-10H2,1-6H3,(H2,25,32)(H,26,34)(H,27,28,33)
PDB

KEGG

UniProtKB/SwissProt

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



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay

J Med Chem 63: 260-282 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01567
BindingDB Entry DOI: 10.7270/Q2TH8R0C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%