Compile Data Set for Download or QSAR

Found 208 hits Enz. Inhib. hit(s) with all data for entry = 50007434   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Stimulator of interferon genes protein (Human)	BDBM50509396 (CHEMBL4540223) Show SMILES Nc1nc(N)c2ncn([C@@H]3O[C@@H]4COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)O[C@H]4[C@H]3O)O[C@H]5n3cnc4c3[nH]c(N)nc4=O)c2n1 |r| Show InChI InChI=1S/C20H25N11O13P2/c21-13-7-14(27-19(22)26-13)30(3-24-7)17-10(33)11-6(42-17)2-40-46(37,38)44-12-9(32)5(1-39-45(35,36)43-11)41-18(12)31-4-25-8-15(31)28-20(23)29-16(8)34/h3-6,9-12,17-18,32-33H,1-2H2,(H,35,36)(H,37,38)(H4,21,22,26,27)(H3,23,28,29,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509397 (CHEMBL4566128) Show SMILES NC(=O)c1ncn([C@@H]2O[C@@H]3COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(=O)O[C@H]3[C@H]2O)O[C@H]4n2cnc3c2nc(N)[nH]c3=O)c1N |r| Show InChI InChI=1S/C19H25N9O14P2/c20-13-7(14(21)31)23-3-27(13)17-10(30)11-6(40-17)2-38-44(35,36)42-12-9(29)5(1-37-43(33,34)41-11)39-18(12)28-4-24-8-15(28)25-19(22)26-16(8)32/h3-6,9-12,17-18,29-30H,1-2,20H2,(H2,21,31)(H,33,34)(H,35,36)(H3,22,25,26,32)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509398 (CHEMBL4438957) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24N10O11P2S2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(39-18)2-37-43(35,45)41-13-10(31)6(1-36-42(34,44)40-12)38-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,44)(H,35,45)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-,42?,43?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509399 (CHEMBL4468010) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2F)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H22F2N10O11P2/c21-8-6-1-38-44(34,35)42-12-7(41-18(9(12)22)31-4-27-10-14(23)25-3-26-15(10)31)2-39-45(36,37)43-13(8)19(40-6)32-5-28-11-16(32)29-20(24)30-17(11)33/h3-9,12-13,18-19H,1-2H2,(H,34,35)(H,36,37)(H2,23,25,26)(H3,24,29,30,33)/t6-,7-,8-,9-,12-,13-,18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509400 (CHEMBL4444544) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3O)n1cnc2c(N)nc(F)nc12 |r| Show InChI InChI=1S/C20H23FN10O13P2/c21-19-26-13(22)7-14(27-19)30(3-24-7)17-10(33)11-6(42-17)2-40-46(37,38)44-12-9(32)5(1-39-45(35,36)43-11)41-18(12)31-4-25-8-15(31)28-20(23)29-16(8)34/h3-6,9-12,17-18,32-33H,1-2H2,(H,35,36)(H,37,38)(H2,22,26,27)(H3,23,28,29,34)/t5-,6-,9-,10+,11-,12-,17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509397 (CHEMBL4566128) Show SMILES NC(=O)c1ncn([C@@H]2O[C@@H]3COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(=O)O[C@H]3[C@H]2O)O[C@H]4n2cnc3c2nc(N)[nH]c3=O)c1N |r| Show InChI InChI=1S/C19H25N9O14P2/c20-13-7(14(21)31)23-3-27(13)17-10(30)11-6(40-17)2-38-44(35,36)42-12-9(29)5(1-37-43(33,34)41-11)39-18(12)28-4-24-8-15(28)25-19(22)26-16(8)32/h3-6,9-12,17-18,29-30H,1-2,20H2,(H2,21,31)(H,33,34)(H,35,36)(H3,22,25,26,32)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509401 (CHEMBL4449584) Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-10(31)12-6(40-18)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(11(13)32)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 MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	7.01E+4	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Stimulator of interferon genes protein (Human)	BDBM50509402 (CHEMBL4446841) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)nc(F)nc12 |r| Show InChI InChI=1S/C20H22F2N10O12P2/c21-7-11-6(42-17(7)31-3-25-8-13(23)27-19(22)28-14(8)31)2-40-46(37,38)44-12-10(33)5(1-39-45(35,36)43-11)41-18(12)32-4-26-9-15(32)29-20(24)30-16(9)34/h3-7,10-12,17-18,33H,1-2H2,(H,35,36)(H,37,38)(H2,23,27,28)(H3,24,29,30,34)/t5-,6-,7-,10-,11-,12-,17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509403 (CHEMBL4526526 | US11453697, Example 31) Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C21H26N10O13P2/c1-23-15-9-16(25-4-24-15)30(5-26-9)19-12(33)13-8(42-19)3-40-46(37,38)44-14-11(32)7(2-39-45(35,36)43-13)41-20(14)31-6-27-10-17(31)28-21(22)29-18(10)34/h4-8,11-14,19-20,32-33H,2-3H2,1H3,(H,35,36)(H,37,38)(H,23,24,25)(H3,22,28,29,34)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.37E+4	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509404 (CHEMBL4544112) Show SMILES Nc1nc(N)c2ncn([C@@H]3O[C@@H]4COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)O[C@H]4[C@H]3F)O[C@H]5n3cnc4c3nc(N)[nH]c4=O)c2n1 |r| Show InChI InChI=1S/C20H24FN11O12P2/c21-7-11-6(42-17(7)31-3-25-8-13(22)27-19(23)28-14(8)31)2-40-46(37,38)44-12-10(33)5(1-39-45(35,36)43-11)41-18(12)32-4-26-9-15(32)29-20(24)30-16(9)34/h3-7,10-12,17-18,33H,1-2H2,(H,35,36)(H,37,38)(H4,22,23,27,28)(H3,24,29,30,34)/t5-,6-,7-,10-,11-,12-,17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509403 (CHEMBL4526526 | US11453697, Example 31) Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C21H26N10O13P2/c1-23-15-9-16(25-4-24-15)30(5-26-9)19-12(33)13-8(42-19)3-40-46(37,38)44-14-11(32)7(2-39-45(35,36)43-13)41-20(14)31-6-27-10-17(31)28-21(22)29-18(10)34/h4-8,11-14,19-20,32-33H,2-3H2,1H3,(H,35,36)(H,37,38)(H,23,24,25)(H3,22,28,29,34)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509405 (CHEMBL4573882) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24N10O12P2S/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(40-18)2-37-43(34,35)41-13-10(31)6(1-38-44(36,45)42-12)39-19(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,36,45)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-,44?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50436163 (CHEMBL1231573) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2CO[P@@](O)(=O)O[C@@H]3[C@@H](CO[P@@](O)(=O)O[C@H]2[C@H]1O)O[C@H]([C@@H]3O)n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Stimulator of interferon genes protein (Human)	BDBM50509406 (CHEMBL4435159) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]3n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-12-10(31)6(40-18)1-38-45(36,37)43-13-11(32)7(2-39-44(34,35)42-12)41-19(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 PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Stimulator of interferon genes protein (Human)	BDBM50509407 (CHEMBL4573074) Show SMILES Cn1c(N)nc2n(cnc2c1=O)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H26N10O13P2/c1-29-18(34)10-17(28-21(29)23)31(6-27-10)20-14-11(32)7(41-20)2-39-45(35,36)43-13-8(3-40-46(37,38)44-14)42-19(12(13)33)30-5-26-9-15(22)24-4-25-16(9)30/h4-8,11-14,19-20,32-33H,2-3H2,1H3,(H2,23,28)(H,35,36)(H,37,38)(H2,22,24,25)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50506263 (CHEMBL4465054 | US11401295, Compound 2',3'-cGAMP) Show SMILES [H][C@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]([H])([C@@H](O1)n1cnc3c1nc(N)[nH]c3=O)[C@@H]2O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509408 (CHEMBL4459563) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@@H]1[C@@H]2F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H23FN10O11P2/c21-11-9-3-38-43(33,34)41-7-1-10(30-5-26-12-15(22)24-4-25-16(12)30)39-8(7)2-37-44(35,36)42-14(11)19(40-9)31-6-27-13-17(31)28-20(23)29-18(13)32/h4-11,14,19H,1-3H2,(H,33,34)(H,35,36)(H2,22,24,25)(H3,23,28,29,32)/t7-,8+,9+,10+,11+,14+,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509396 (CHEMBL4540223) Show SMILES Nc1nc(N)c2ncn([C@@H]3O[C@@H]4COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)O[C@H]4[C@H]3O)O[C@H]5n3cnc4c3[nH]c(N)nc4=O)c2n1 |r| Show InChI InChI=1S/C20H25N11O13P2/c21-13-7-14(27-19(22)26-13)30(3-24-7)17-10(33)11-6(42-17)2-40-46(37,38)44-12-9(32)5(1-39-45(35,36)43-11)41-18(12)31-4-25-8-15(31)28-20(23)29-16(8)34/h3-6,9-12,17-18,32-33H,1-2H2,(H,35,36)(H,37,38)(H4,21,22,26,27)(H3,23,28,29,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509409 (CHEMBL4578839 | US11453697, Example 43) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1ccc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H25N9O13P2/c22-15-7-1-2-29(16(7)25-5-24-15)19-12(32)13-9(41-19)4-39-45(36,37)43-14-11(31)8(3-38-44(34,35)42-13)40-20(14)30-6-26-10-17(30)27-21(23)28-18(10)33/h1-2,5-6,8-9,11-14,19-20,31-32H,3-4H2,(H,34,35)(H,36,37)(H2,22,24,25)(H3,23,27,28,33)/t8-,9-,11-,12-,13-,14-,19-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Stimulator of interferon genes protein (Human)	BDBM50509404 (CHEMBL4544112) Show SMILES Nc1nc(N)c2ncn([C@@H]3O[C@@H]4COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)O[C@H]4[C@H]3F)O[C@H]5n3cnc4c3nc(N)[nH]c4=O)c2n1 |r| Show InChI InChI=1S/C20H24FN11O12P2/c21-7-11-6(42-17(7)31-3-25-8-13(22)27-19(23)28-14(8)31)2-40-46(37,38)44-12-10(33)5(1-39-45(35,36)43-11)41-18(12)32-4-26-9-15(32)29-20(24)30-16(9)34/h3-7,10-12,17-18,33H,1-2H2,(H,35,36)(H,37,38)(H4,22,23,27,28)(H3,24,29,30,34)/t5-,6-,7-,10-,11-,12-,17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509410 (CHEMBL4517384) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1cnc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C20H23N9O14P2/c21-20-26-15-9(17(33)27-20)25-5-29(15)19-13-10(30)6(40-19)1-38-44(34,35)42-12-7(2-39-45(36,37)43-13)41-18(11(12)31)28-4-24-8-14(28)22-3-23-16(8)32/h3-7,10-13,18-19,30-31H,1-2H2,(H,34,35)(H,36,37)(H,22,23,32)(H3,21,26,27,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509411 (CHEMBL4552089) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C20H23N9O13P2/c21-15-9-16(23-3-22-15)28(5-26-9)19-12(31)13-8(40-19)2-38-44(35,36)42-14-11(30)7(1-37-43(33,34)41-13)39-20(14)29-6-27-10-17(29)24-4-25-18(10)32/h3-8,11-14,19-20,30-31H,1-2H2,(H,33,34)(H,35,36)(H2,21,22,23)(H,24,25,32)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509412 (CHEMBL4474321 | US11453697, Example 1) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@@H]1[C@@H]2O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24N10O12P2/c21-15-11-16(24-4-23-15)29(5-25-11)10-1-7-8(39-10)2-37-44(35,36)42-14-13(31)9(3-38-43(33,34)41-7)40-19(14)30-6-26-12-17(30)27-20(22)28-18(12)32/h4-10,13-14,19,31H,1-3H2,(H,33,34)(H,35,36)(H2,21,23,24)(H3,22,27,28,32)/t7-,8+,9+,10+,13+,14+,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509413 (CHEMBL4439796) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@@H]1[C@@H]2O)n1cnc2c(N)nc(Cl)nc12 |r| Show InChI InChI=1S/C20H23ClN10O12P2/c21-19-26-14(22)10-15(27-19)30(4-24-10)9-1-6-7(40-9)2-38-45(36,37)43-13-12(32)8(3-39-44(34,35)42-6)41-18(13)31-5-25-11-16(31)28-20(23)29-17(11)33/h4-9,12-13,18,32H,1-3H2,(H,34,35)(H,36,37)(H2,22,26,27)(H3,23,28,29,33)/t6-,7+,8+,9+,12+,13+,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509403 (CHEMBL4526526 | US11453697, Example 31) Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C21H26N10O13P2/c1-23-15-9-16(25-4-24-15)30(5-26-9)19-12(33)13-8(42-19)3-40-46(37,38)44-14-11(32)7(2-39-45(35,36)43-13)41-20(14)31-6-27-10-17(31)28-21(22)29-18(10)34/h4-8,11-14,19-20,32-33H,2-3H2,1H3,(H,35,36)(H,37,38)(H,23,24,25)(H3,22,28,29,34)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509410 (CHEMBL4517384) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1cnc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C20H23N9O14P2/c21-20-26-15-9(17(33)27-20)25-5-29(15)19-13-10(30)6(40-19)1-38-44(34,35)42-12-7(2-39-45(36,37)43-13)41-18(11(12)31)28-4-24-8-14(28)22-3-23-16(8)32/h3-7,10-13,18-19,30-31H,1-2H2,(H,34,35)(H,36,37)(H,22,23,32)(H3,21,26,27,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509414 (CHEMBL4586305) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1cnc2c1nc[nH]c2=S |r| Show InChI InChI=1S/C20H23N9O13P2S/c21-20-26-15-8(16(32)27-20)24-4-29(15)19-13-10(30)6(39-19)1-37-43(33,34)41-12-7(2-38-44(35,36)42-13)40-18(11(12)31)28-5-25-9-14(28)22-3-23-17(9)45/h3-7,10-13,18-19,30-31H,1-2H2,(H,33,34)(H,35,36)(H,22,23,45)(H3,21,26,27,32)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509415 (CHEMBL4462144 | US11453697, Example 59) Show SMILES Nc1ncc2ncn([C@@H]3O[C@@H]4COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)O[C@H]4[C@H]3O)O[C@H]5n3cnc4c3nc(N)[nH]c4=O)c2n1 |r| Show InChI InChI=1S/C20H24N10O13P2/c21-19-23-1-6-14(26-19)29(4-24-6)17-11(32)12-8(41-17)3-39-45(36,37)43-13-10(31)7(2-38-44(34,35)42-12)40-18(13)30-5-25-9-15(30)27-20(22)28-16(9)33/h1,4-5,7-8,10-13,17-18,31-32H,2-3H2,(H,34,35)(H,36,37)(H2,21,23,26)(H3,22,27,28,33)/t7-,8-,10-,11-,12-,13-,17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509416 (CHEMBL4466863) Show SMILES CSc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C21H25N9O13P2S/c1-46-18-10-15(23-4-24-18)29(6-26-10)19-12(32)13-8(41-19)3-39-45(36,37)43-14-11(31)7(2-38-44(34,35)42-13)40-20(14)30-5-25-9-16(30)27-21(22)28-17(9)33/h4-8,11-14,19-20,31-32H,2-3H2,1H3,(H,34,35)(H,36,37)(H3,22,27,28,33)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509417 (CHEMBL4566810 | US11453697, Example 55) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1nnc2c(N)ncnc12 |r| Show InChI InChI=1S/C19H23N11O13P2/c20-13-7-14(23-3-22-13)30(28-27-7)17-10(32)11-6(41-17)2-39-45(36,37)43-12-9(31)5(1-38-44(34,35)42-11)40-18(12)29-4-24-8-15(29)25-19(21)26-16(8)33/h3-6,9-12,17-18,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,20,22,23)(H3,21,25,26,33)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509418 (CHEMBL4588248) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c1nc(O)[nH]c2=O |r| Show InChI InChI=1S/C20H23N9O14P2/c21-14-8-15(23-3-22-14)28(4-24-8)18-11(31)12-7(41-18)2-39-45(36,37)43-13-10(30)6(1-38-44(34,35)42-12)40-19(13)29-5-25-9-16(29)26-20(33)27-17(9)32/h3-7,10-13,18-19,30-31H,1-2H2,(H,34,35)(H,36,37)(H2,21,22,23)(H2,26,27,32,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	180	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509411 (CHEMBL4552089) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C20H23N9O13P2/c21-15-9-16(23-3-22-15)28(5-26-9)19-12(31)13-8(40-19)2-38-44(35,36)42-14-11(30)7(1-37-43(33,34)41-13)39-20(14)29-6-27-10-17(29)24-4-25-18(10)32/h3-8,11-14,19-20,30-31H,1-2H2,(H,33,34)(H,35,36)(H2,21,22,23)(H,24,25,32)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509419 (CHEMBL4539147) Show SMILES Nc1nc2n(ccc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H25N9O13P2/c22-15-10-17(25-5-24-15)30(6-26-10)19-12(32)13-9(41-19)4-39-45(36,37)43-14-11(31)8(3-38-44(34,35)42-13)40-20(14)29-2-1-7-16(29)27-21(23)28-18(7)33/h1-2,5-6,8-9,11-14,19-20,31-32H,3-4H2,(H,34,35)(H,36,37)(H2,22,24,25)(H3,23,27,28,33)/t8-,9-,11-,12-,13-,14-,19-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509420 (CHEMBL4556336) Show SMILES NC(=O)c1ncn([C@@H]2O[C@@H]3COP(O)(=O)O[C@@H]4[C@@H](COP(O)(=O)O[C@@H]2[C@@H]3O)O[C@H]([C@@H]4O)n2cnc3c(N)ncnc23)c1N |r| Show InChI InChI=1S/C19H25N9O13P2/c20-14-8-17(24-3-23-14)28(5-25-8)18-11(30)12-7(39-18)2-37-43(34,35)41-13-10(29)6(1-36-42(32,33)40-12)38-19(13)27-4-26-9(15(27)21)16(22)31/h3-7,10-13,18-19,29-30H,1-2,21H2,(H2,22,31)(H,32,33)(H,34,35)(H2,20,23,24)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	420	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509398 (CHEMBL4438957) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24N10O11P2S2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(39-18)2-37-43(35,45)41-13-10(31)6(1-36-42(34,44)40-12)38-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,44)(H,35,45)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-,42?,43?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509398 (CHEMBL4438957) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24N10O11P2S2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(39-18)2-37-43(35,45)41-13-10(31)6(1-36-42(34,44)40-12)38-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,44)(H,35,45)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-,42?,43?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50506263 (CHEMBL4465054 | US11401295, Compound 2',3'-cGAMP) Show SMILES [H][C@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]([H])([C@@H](O1)n1cnc3c1nc(N)[nH]c3=O)[C@@H]2O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509406 (CHEMBL4435159) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]3n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-12-10(31)6(40-18)1-38-45(36,37)43-13-11(32)7(2-39-44(34,35)42-12)41-19(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 PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Stimulator of interferon genes protein (Human)	BDBM50509401 (CHEMBL4449584) Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-10(31)12-6(40-18)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(11(13)32)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 MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	260	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Stimulator of interferon genes protein (Human)	BDBM50509421 (CHEMBL4577528) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C20H23FN10O12P2/c21-8-12-7(41-18(8)30-4-26-9-14(22)24-3-25-15(9)30)2-39-45(36,37)43-13-11(32)6(1-38-44(34,35)42-12)40-19(13)31-5-27-10-16(31)28-20(23)29-17(10)33/h3-8,11-13,18-19,32H,1-2H2,(H,34,35)(H,36,37)(H2,22,24,25)(H3,23,28,29,33)/t6-,7-,8-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Stimulator of interferon genes protein (Human)	BDBM50509399 (CHEMBL4468010) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2F)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H22F2N10O11P2/c21-8-6-1-38-44(34,35)42-12-7(41-18(9(12)22)31-4-27-10-14(23)25-3-26-15(10)31)2-39-45(36,37)43-13(8)19(40-6)32-5-28-11-16(32)29-20(24)30-17(11)33/h3-9,12-13,18-19H,1-2H2,(H,34,35)(H,36,37)(H2,23,25,26)(H3,24,29,30,33)/t6-,7-,8-,9-,12-,13-,18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509422 (CHEMBL4476079) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H]2C[C@H]1OP(O)(=O)OC[C@H]1O[C@H]([C@H](F)[C@@H]1OP(O)(=O)OC2)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H23FN10O11P2/c21-10-13-9(40-19(10)30-5-26-11-14(22)24-4-25-15(11)30)3-38-43(33,34)41-8-1-7(2-37-44(35,36)42-13)39-18(8)31-6-27-12-16(31)28-20(23)29-17(12)32/h4-10,13,18-19H,1-3H2,(H,33,34)(H,35,36)(H2,22,24,25)(H3,23,28,29,32)/t7-,8+,9+,10+,13+,18+,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	180	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509408 (CHEMBL4459563) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@@H]1[C@@H]2F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H23FN10O11P2/c21-11-9-3-38-43(33,34)41-7-1-10(30-5-26-12-15(22)24-4-25-16(12)30)39-8(7)2-37-44(35,36)42-14(11)19(40-9)31-6-27-13-17(31)28-20(23)29-18(13)32/h4-11,14,19H,1-3H2,(H,33,34)(H,35,36)(H2,22,24,25)(H3,23,28,29,32)/t7-,8+,9+,10+,11+,14+,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509423 (CHEMBL4445083) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@@H]1[C@@H]2F)n1cnc2c(N)nc(F)nc12 |r| Show InChI InChI=1S/C20H22F2N10O11P2/c21-10-8-3-39-44(34,35)42-6-1-9(31-4-25-11-14(23)27-19(22)28-15(11)31)40-7(6)2-38-45(36,37)43-13(10)18(41-8)32-5-26-12-16(32)29-20(24)30-17(12)33/h4-10,13,18H,1-3H2,(H,34,35)(H,36,37)(H2,23,27,28)(H3,24,29,30,33)/t6-,7+,8+,9+,10+,13+,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509424 (CHEMBL4441395 | US11453697, Example 48) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11+,12-,13-,18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509400 (CHEMBL4444544) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3O)n1cnc2c(N)nc(F)nc12 |r| Show InChI InChI=1S/C20H23FN10O13P2/c21-19-26-13(22)7-14(27-19)30(3-24-7)17-10(33)11-6(42-17)2-40-46(37,38)44-12-9(32)5(1-39-45(35,36)43-11)41-18(12)31-4-25-8-15(31)28-20(23)29-16(8)34/h3-6,9-12,17-18,32-33H,1-2H2,(H,35,36)(H,37,38)(H2,22,26,27)(H3,23,28,29,34)/t5-,6-,9-,10+,11-,12-,17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509425 (CHEMBL4566174 | US11453697, Example 27) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H]2C[C@H]1OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1OP(O)(=O)OC2)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24N10O11P2/c21-15-13-16(24-5-23-15)29(6-25-13)12-2-9-11(39-12)4-37-43(34,35)41-10-1-8(3-36-42(32,33)40-9)38-19(10)30-7-26-14-17(30)27-20(22)28-18(14)31/h5-12,19H,1-4H2,(H,32,33)(H,34,35)(H2,21,23,24)(H3,22,27,28,31)/t8-,9-,10+,11+,12+,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509413 (CHEMBL4439796) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@@H]1[C@@H]2O)n1cnc2c(N)nc(Cl)nc12 |r| Show InChI InChI=1S/C20H23ClN10O12P2/c21-19-26-14(22)10-15(27-19)30(4-24-10)9-1-6-7(40-9)2-38-45(36,37)43-13-12(32)8(3-39-44(34,35)42-6)41-18(13)31-5-25-11-16(31)28-20(23)29-17(11)33/h4-9,12-13,18,32H,1-3H2,(H,34,35)(H,36,37)(H2,22,26,27)(H3,23,28,29,33)/t6-,7+,8+,9+,12+,13+,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	960	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509396 (CHEMBL4540223) Show SMILES Nc1nc(N)c2ncn([C@@H]3O[C@@H]4COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)O[C@H]4[C@H]3O)O[C@H]5n3cnc4c3[nH]c(N)nc4=O)c2n1 |r| Show InChI InChI=1S/C20H25N11O13P2/c21-13-7-14(27-19(22)26-13)30(3-24-7)17-10(33)11-6(42-17)2-40-46(37,38)44-12-9(32)5(1-39-45(35,36)43-11)41-18(12)31-4-25-8-15(31)28-20(23)29-16(8)34/h3-6,9-12,17-18,32-33H,1-2H2,(H,35,36)(H,37,38)(H4,21,22,26,27)(H3,23,28,29,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	310	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509426 (CHEMBL4553050) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1cnc2c(O)nc(O)nc12 |r| Show InChI InChI=1S/C20H23N9O15P2/c21-19-24-13-7(15(32)26-19)23-4-29(13)18-12-9(30)5(41-18)1-39-45(35,36)43-11-6(2-40-46(37,38)44-12)42-17(10(11)31)28-3-22-8-14(28)25-20(34)27-16(8)33/h3-6,9-12,17-18,30-31H,1-2H2,(H,35,36)(H,37,38)(H3,21,24,26,32)(H2,25,27,33,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.28E+4	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2TF01NG
					More data for this Ligand-Target Pair

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