Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Stimulator of interferon genes protein' and Ligand = 'BDBM490801'   

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)	BDBM490801 ((4S,6R,7S,11aR,13R,14R,14aR,15R)-6,13-bis(6-amino-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H23FN10O10P2/c21-10-15-9(38-20(10)31-6-29-12-17(23)25-4-27-19(12)31)2-37-42(33,34)40-14-7(1-8(13(14)32)39-43(35,36)41-15)30-5-28-11-16(22)24-3-26-18(11)30/h3-10,13-15,20,32H,1-2H2,(H,33,34)(H,35,36)(H2,22,24,26)(H2,23,25,27)/t7-,8+,9-,10-,13-,14+,15-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...				US Patent US10968242 (2021) BindingDB Entry DOI: 10.7270/Q27W6GB9
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM490801 ((4S,6R,7S,11aR,13R,14R,14aR,15R)-6,13-bis(6-amino-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H23FN10O10P2/c21-10-15-9(38-20(10)31-6-29-12-17(23)25-4-27-19(12)31)2-37-42(33,34)40-14-7(1-8(13(14)32)39-43(35,36)41-15)30-5-28-11-16(22)24-3-26-18(11)30/h3-10,13-15,20,32H,1-2H2,(H,33,34)(H,35,36)(H2,22,24,26)(H2,23,25,27)/t7-,8+,9-,10-,13-,14+,15-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	993	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K...				US Patent US10968242 (2021) BindingDB Entry DOI: 10.7270/Q27W6GB9
					More data for this Ligand-Target Pair