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BDBM50509398 CHEMBL4438957

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

InChI Key: InChIKey=NVOTUSOAWRDABP-ZNFLLBLTSA-N

Data: 1 Kd  20 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50509398   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 130n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human STING haplotype R71H/G230A/R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by ...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/a 5n/an/an/an/an/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
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 140n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human STING haplotype G230A/R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by brigh...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 80n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human STING haplotype R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 7.07E+4n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human wild-type STING expressed in 293T cells incubated for 7 hrs in absence of digitonin A by bright Glo-luciferase report...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 1.00E+3n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human wild-type STING expressed in 293T cells incubated for 7 hrs in absence of digitonin A by bright Glo-luciferase report...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 90n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human wild-type STING expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-luciferase re...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 20n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human wild-type STING expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-luciferase re...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 20n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human STING haplotype R71H/G230A/R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by ...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 30n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human STING haplotype R71H/G230A/R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by ...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 70n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human STING haplotype R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 30n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human wild-type STING expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-luciferase re...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 190n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human STING haplotype R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 30n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human STING haplotype G230A/R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by brigh...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 30n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human STING haplotype R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 30n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human STING haplotype G230A/R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by brigh...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 7.00E+3n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human wild-type STING expressed in 293T cells incubated for 7 hrs in absence of digitonin A by bright Glo-luciferase report...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 30n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human wild-type STING expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-luciferase re...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 20n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human STING haplotype R71H/G230A/R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by ...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 1.21E+5n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human wild-type STING expressed in 293T cells incubated for 7 hrs in absence of digitonin A by bright Glo-luciferase report...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509398
PNG
(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
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n/an/an/an/a 30n/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB

Curated by ChEMBL


Assay Description
Activation of recombinant human STING haplotype G230A/R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by brigh...

J Med Chem 62: 10676-10690 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01062
More data for this
Ligand-Target Pair