Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Stimulator of interferon genes protein' and Ligand = 'BDBM50509411'   

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)	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)	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)	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	2.99E+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)	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 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)	BDBM50509411 (CHEMBL4552089) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C20H23N9O13P2/c21-15-9-16(23-3-22-15)28(5-26-9)19-12(31)13-8(40-19)2-38-44(35,36)42-14-11(30)7(1-37-43(33,34)41-13)39-20(14)29-6-27-10-17(29)24-4-25-18(10)32/h3-8,11-14,19-20,30-31H,1-2H2,(H,33,34)(H,35,36)(H2,21,22,23)(H,24,25,32)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild-type human STING-CTD (139-379) expressed in Escherichia coli BL21(D Escherichia ) cells by isothermal titration calorimetry				Citation and Details Article DOI: 10.1016/j.bmc.2020.115899 BindingDB Entry DOI: 10.7270/Q2NC64VF
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Mus musculus)	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I IFNs stimulation by measuring induction of IRF pathway incubated for...				Citation and Details BindingDB Entry DOI: 10.7270/Q2708537
					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	PubMed	n/a	n/a	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of IRF pathway incubated for 48 hrs by lu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2708537
					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	PubMed	n/a	n/a	n/a	n/a	5.43E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of NF-kappaB pathway incubated for 48 hrs...				Citation and Details BindingDB Entry DOI: 10.7270/Q2708537
					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	PubMed	n/a	n/a	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of STING in human blood assessed as induction of type I IFNs incubated for 18 to 20 hrs by QUANTI-Blue assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2708537
					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	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 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