Compile Data Set for Download or QSAR

Found 1274 hits with Last Name = 'mcalpine' and Initial = 'ij'   

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)	BDBM490791 (9-((4S,6R,7S,11aR,13R,14R,14aR,15R)-13-(6-amino-9H...) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=S)O[C@H]3[C@@H](F)[C@@H](O[C@@H]3COP(S)(=S)O[C@@H]1[C@@H]2O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O7P2S4/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)37-39(41,42)34-3-10-16(38-40(43,44)36-9)11(22)21(35-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,41,42)(H,43,44)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.190	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)	BDBM490773 (US10968242, Example 2 Peak 4) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O9P2S2/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)39-41(34,43)36-3-10-16(40-42(35,44)38-9)11(22)21(37-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,43)(H,35,44)(H2,23,24,25)/t8-,9+,10-,11+,14+,15+,16-,21-,41?,42?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	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)	BDBM490777 (US10968242, Example 3 Peak 4) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@@H](O)[C@H](C[C@H]3n3cnc4c3nc[nH]c4=O)OP(S)(=O)O[C@H]2[C@@H]1F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	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)	BDBM490790 (US10968242, Example 17 Peak 2) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=S)O[C@H]3[C@@H](F)[C@@H](O[C@@H]3COP(S)(=O)O[C@@H]1[C@H]2O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O8P2S3/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)38-40(34,42)35-3-10-16(39-41(43,44)37-9)11(22)21(36-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,42)(H,43,44)(H2,23,24,25)/t8-,9+,10-,11-,14+,15+,16-,21-,40?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	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)	BDBM490786 (US10968242, Example 15 Peak 2) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O10P2S/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)41-43(36,44)37-3-10-16(40-42(34,35)39-9)11(22)21(38-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,35)(H,36,44)(H2,23,24,25)/t8-,9+,10-,11-,14+,15+,16-,21-,43?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	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)	BDBM490787 (US10968242, Example 16 Peak 1) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=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/C21H24FN9O10P2S/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)40-42(34,35)37-3-10-16(41-43(36,44)39-9)11(22)21(38-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,35)(H,36,44)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-,43?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	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)	BDBM490776 (US10968242, Example 3 Peak 3) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@H](O)[C@H](C[C@H]3n3cnc4c3nc[nH]c4=O)OP(S)(=O)O[C@H]2[C@@H]1F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	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)	BDBM490794 (US10968242, Example 19 Peak 3) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3F)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12+,15-,16+,17-,22-,42?,43?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	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)	BDBM490772 (US10968242, Example 2 Peak 3) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O9P2S2/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)39-41(34,43)36-3-10-16(40-42(35,44)38-9)11(22)21(37-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,43)(H,35,44)(H2,23,24,25)/t8-,9+,10-,11+,14-,15+,16-,21-,41?,42?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	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)	BDBM490789 (US10968242, Example 17 Peak 1) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=S)O[C@H]3[C@@H](F)[C@@H](O[C@@H]3COP(S)(=O)O[C@@H]1[C@@H]2O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O8P2S3/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)38-40(34,42)35-3-10-16(39-41(43,44)37-9)11(22)21(36-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,42)(H,43,44)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-,40?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	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)	BDBM490781 (US10968242, Example 7 Peak 4) Show SMILES Cc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	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)	BDBM490774 (US10968242, Example 3 Peak 1) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@H](O)[C@H](C[C@H]3n3cnc4c3nc[nH]c4=O)OP(S)(=O)O[C@H]2[C@H]1F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	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)	BDBM490770 (US10968242, Example 2 Peak 1) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O9P2S2/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)39-41(34,43)36-3-10-16(40-42(35,44)38-9)11(22)21(37-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,43)(H,35,44)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-,41?,42?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	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)	BDBM490784 (9-[(4S,6R,7S,11aR,13R,14R,14aR,15R)-13-(6-amino-9H...) Show SMILES Cn1cnc2n(cnc2c1=O)[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/C21H24FN9O11P2/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)41-43(34,35)38-3-10-16(42-44(36,37)40-9)11(22)21(39-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,35)(H,36,37)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	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)	BDBM490799 (US10968242, Example 21 Peak 2) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)41-43(35,36)38-4-11-17(42-44(37,45)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15+,16+,17-,22-,44?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	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)	BDBM490788 (US10968242, Example 16 Peak 2) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=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/C21H24FN9O10P2S/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)40-42(34,35)37-3-10-16(41-43(36,44)39-9)11(22)21(38-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,35)(H,36,44)(H2,23,24,25)/t8-,9+,10-,11-,14+,15+,16-,21-,43?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	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)	BDBM490780 (US10968242, Example 7 Peak 3) Show SMILES Cc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	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)	BDBM490775 (US10968242, Example 3 Peak 2) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@@H](O)[C@H](C[C@H]3n3cnc4c3nc[nH]c4=O)OP(S)(=O)O[C@H]2[C@H]1F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	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)	BDBM490792 (US10968242, Example 19 Peak 1) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12-,15-,16+,17-,22-,42?,43?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	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)	BDBM490785 (US10968242, Example 15 Peak 1) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O10P2S/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)41-43(36,44)37-3-10-16(40-42(34,35)39-9)11(22)21(38-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,35)(H,36,44)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-,43?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37	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)	BDBM490797 (US10968242, Example 20 Peak 2) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)42-44(37,45)38-4-11-17(41-43(35,36)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15+,16+,17-,22-,44?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	38	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)	BDBM490769 (US10968242, Example 1 Peak 4) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H23FN10O8P2S2/c21-10-15-9(36-20(10)31-6-29-12-17(23)25-4-27-19(12)31)2-35-40(33,42)38-14-7(1-8(13(14)32)37-41(34,43)39-15)30-5-28-11-16(22)24-3-26-18(11)30/h3-10,13-15,20,32H,1-2H2,(H,33,42)(H,34,43)(H2,22,24,26)(H2,23,25,27)/t7-,8+,9-,10+,13+,14+,15-,20-,40?,41?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	42	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)	BDBM490778 (US10968242, Example 7 Peak 1 | US10968242, Example...) Show SMILES Cc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44	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)	BDBM490795 (US10968242, Example 19 Peak 4) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@H]3F)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12+,15+,16+,17-,22-,42?,43?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	54	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)	BDBM490771 (US10968242, Example 2 Peak 2) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H24FN9O9P2S2/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)39-41(34,43)36-3-10-16(40-42(35,44)38-9)11(22)21(37-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,43)(H,35,44)(H2,23,24,25)/t8-,9+,10-,11-,14+,15+,16-,21-,41?,42?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	73	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)	BDBM490767 (US10968242, Example 1 Peak 3) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H23FN10O8P2S2/c21-10-15-9(36-20(10)31-6-29-12-17(23)25-4-27-19(12)31)2-35-40(33,42)38-14-7(1-8(13(14)32)37-41(34,43)39-15)30-5-28-11-16(22)24-3-26-18(11)30/h3-10,13-15,20,32H,1-2H2,(H,33,42)(H,34,43)(H2,22,24,26)(H2,23,25,27)/t7-,8+,9-,10+,13-,14+,15-,20-,40?,41?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	107	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)	BDBM490778 (US10968242, Example 7 Peak 1 | US10968242, Example...) Show SMILES Cc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	107	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)	BDBM490798 (US10968242, Example 21 Peak 1) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)41-43(35,36)38-4-11-17(42-44(37,45)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15-,16+,17-,22-,44?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	142	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)	BDBM490800 (9,9′-((4S,6R,7S,11aR,13R,14R,14aR,15R)-14-fl...) Show SMILES Cn1cnc2n(cnc2c1=O)[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)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O12P2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)42-44(35,36)39-4-11-17(43-45(37,38)41-10)12(23)22(40-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,38)/t9-,10+,11-,12-,15-,16+,17-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	222	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)	BDBM490796 (US10968242, Example 20 Peak 1) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)42-44(37,45)38-4-11-17(41-43(35,36)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15-,16+,17-,22-,44?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	294	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)	BDBM490783 (US10968242, Example 13 Peak 2) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](CSP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H23FN10O7P2S3/c21-10-15-9(35-20(10)31-6-29-12-17(23)25-4-27-19(12)31)2-43-40(34,42)38-14-7(1-8(13(14)32)36-39(33,41)37-15)30-5-28-11-16(22)24-3-26-18(11)30/h3-10,13-15,20,32H,1-2H2,(H,33,41)(H,34,42)(H2,22,24,26)(H2,23,25,27)/t7-,8+,9-,10-,13+,14+,15-,20-,39?,40?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+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)	BDBM490793 (US10968242, Example 19 Peak 2) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r| Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12-,15+,16+,17-,22-,42?,43?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+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)	BDBM490782 (US10968242, Example 13 Peak 1) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](CSP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H23FN10O7P2S3/c21-10-15-9(35-20(10)31-6-29-12-17(23)25-4-27-19(12)31)2-43-40(34,42)38-14-7(1-8(13(14)32)36-39(33,41)37-15)30-5-28-11-16(22)24-3-26-18(11)30/h3-10,13-15,20,32H,1-2H2,(H,33,41)(H,34,42)(H2,22,24,26)(H2,23,25,27)/t7-,8+,9-,10-,13-,14+,15-,20-,39?,40?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+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	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
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM451353 (US10709709, Example 183) Show SMILES C[C@@H]1CNCc2c(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(C)ncnc34)ccc(F)c12 |r| Show InChI InChI=1S/C22H25FN4O3/c1-11-8-24-9-14-17(4-3-15(23)19(11)14)30-18-7-16(20(28)21(18)29)27-6-5-13-12(2)25-10-26-22(13)27/h3-6,10-11,16,18,20-21,24,28-29H,7-9H2,1-2H3/t11-,16-,18+,20+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...				US Patent US10709709 (2020) BindingDB Entry DOI: 10.7270/Q26113CC
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM451354 (US10709709, Example 184 | US10709709, Example 185) Show SMILES CC1Cc2cccc(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(C)ncnc34)c2CN1 |r| Show InChI InChI=1S/C22H26N4O3/c1-12-8-14-4-3-5-18(16(14)10-23-12)29-19-9-17(20(27)21(19)28)26-7-6-15-13(2)24-11-25-22(15)26/h3-7,11-12,17,19-21,23,27-28H,8-10H2,1-2H3/t12?,17-,19+,20+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...				US Patent US10709709 (2020) BindingDB Entry DOI: 10.7270/Q26113CC
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM451360 (US10709709, Example 190) Show SMILES Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(C(F)F)c(F)c3CCNCc23)C(O)=C1O |r,c:33| Show InChI InChI=1S/C22H21F3N4O3/c1-10-11-3-5-29(22(11)28-9-27-10)15-7-17(20(31)19(15)30)32-16-6-13(21(24)25)18(23)12-2-4-26-8-14(12)16/h3,5-6,9,15,17,21,26,30-31H,2,4,7-8H2,1H3/t15-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...				US Patent US10709709 (2020) BindingDB Entry DOI: 10.7270/Q26113CC
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM451361 (US10709709, Example 191) Show SMILES COc1nc(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(C)ncnc23)c2CNCCc2c1F |r| Show InChI InChI=1S/C21H24FN5O4/c1-10-11-4-6-27(19(11)25-9-24-10)14-7-15(18(29)17(14)28)31-20-13-8-23-5-3-12(13)16(22)21(26-20)30-2/h4,6,9,14-15,17-18,23,28-29H,3,5,7-8H2,1-2H3/t14-,15+,17+,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...				US Patent US10709709 (2020) BindingDB Entry DOI: 10.7270/Q26113CC
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM451364 (US10709709, Example 194) Show SMILES Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2nc(cc3CCNCc23)C(F)F)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H23F2N5O3/c1-10-12-3-5-28(20(12)26-9-25-10)15-7-16(18(30)17(15)29)31-21-13-8-24-4-2-11(13)6-14(27-21)19(22)23/h3,5-6,9,15-19,24,29-30H,2,4,7-8H2,1H3/t15-,16+,17+,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...				US Patent US10709709 (2020) BindingDB Entry DOI: 10.7270/Q26113CC
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM451365 (US10709709, Example 195) Show SMILES Nc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2cc(cc3CCNCc23)C(F)F)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H22F3N5O3/c22-12-7-29(21-16(12)20(25)27-8-28-21)13-5-15(18(31)17(13)30)32-14-4-10(19(23)24)3-9-1-2-26-6-11(9)14/h3-4,7-8,13,15,17-19,26,30-31H,1-2,5-6H2,(H2,25,27,28)/t13-,15+,17+,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...				US Patent US10709709 (2020) BindingDB Entry DOI: 10.7270/Q26113CC
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM451366 (US10709709, Example 196) Show SMILES Nc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2cc(C(F)F)c(F)c3CCNCc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H21F4N5O3/c22-11-6-30(21-15(11)20(26)28-7-29-21)12-4-14(18(32)17(12)31)33-13-3-9(19(24)25)16(23)8-1-2-27-5-10(8)13/h3,6-7,12,14,17-19,27,31-32H,1-2,4-5H2,(H2,26,28,29)/t12-,14+,17+,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...				US Patent US10709709 (2020) BindingDB Entry DOI: 10.7270/Q26113CC
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM451367 (US10709709, Example 197) Show SMILES Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(cc3CCNCc23)-c2cnoc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H25N5O4/c1-13-17-3-5-29(24(17)27-12-26-13)19-8-21(23(31)22(19)30)33-20-7-15(16-9-28-32-11-16)6-14-2-4-25-10-18(14)20/h3,5-7,9,11-12,19,21-23,25,30-31H,2,4,8,10H2,1H3/t19-,21+,22+,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...				US Patent US10709709 (2020) BindingDB Entry DOI: 10.7270/Q26113CC
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50523649 (CHEMBL4448266 | US10709709, Example 198) Show SMILES COc1cc(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(C)ncnc23)c2CNCCc2c1F |r| Show InChI InChI=1S/C22H25FN4O4/c1-11-12-4-6-27(22(12)26-10-25-11)15-7-18(21(29)20(15)28)31-16-8-17(30-2)19(23)13-3-5-24-9-14(13)16/h4,6,8,10,15,18,20-21,24,28-29H,3,5,7,9H2,1-2H3/t15-,18+,20+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...				US Patent US10709709 (2020) BindingDB Entry DOI: 10.7270/Q26113CC
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50523638 (CHEMBL4470815 | US10709709, Example 200) Show SMILES Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(OC(F)F)c(F)c3CCNCc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H23F3N4O4/c1-10-11-3-5-29(21(11)28-9-27-10)14-6-17(20(31)19(14)30)32-15-7-16(33-22(24)25)18(23)12-2-4-26-8-13(12)15/h3,5,7,9,14,17,19-20,22,26,30-31H,2,4,6,8H2,1H3/t14-,17+,19+,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...				US Patent US10709709 (2020) BindingDB Entry DOI: 10.7270/Q26113CC
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM451372 (US10709709, Example 202) Show SMILES Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(cc3OCCNCc23)C#N)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H23N5O4/c1-12-14-2-4-27(22(14)26-11-25-12)16-8-19(21(29)20(16)28)31-18-7-13(9-23)6-17-15(18)10-24-3-5-30-17/h2,4,6-7,11,16,19-21,24,28-29H,3,5,8,10H2,1H3/t16-,19+,20+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...				US Patent US10709709 (2020) BindingDB Entry DOI: 10.7270/Q26113CC
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM451373 (US10709709, Example 203) Show SMILES Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(F)cc3OCCNCc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H23FN4O4/c1-11-13-2-4-26(21(13)25-10-24-11)15-8-18(20(28)19(15)27)30-17-7-12(22)6-16-14(17)9-23-3-5-29-16/h2,4,6-7,10,15,18-20,23,27-28H,3,5,8-9H2,1H3/t15-,18+,19+,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...				US Patent US10709709 (2020) BindingDB Entry DOI: 10.7270/Q26113CC
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM451375 (US10709709, Example 205) Show SMILES Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(cc3OCCNCc23)C(F)F)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H24F2N4O4/c1-11-13-2-4-28(22(13)27-10-26-11)15-8-18(20(30)19(15)29)32-17-7-12(21(23)24)6-16-14(17)9-25-3-5-31-16/h2,4,6-7,10,15,18-21,25,29-30H,3,5,8-9H2,1H3/t15-,18+,19+,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...				US Patent US10709709 (2020) BindingDB Entry DOI: 10.7270/Q26113CC
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM451380 (US10709709, Example 210) Show SMILES C[C@H]1CNCc2c(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(C)ncnc34)cccc2O1 |r| Show InChI InChI=1S/C22H26N4O4/c1-12-9-23-10-15-17(29-12)4-3-5-18(15)30-19-8-16(20(27)21(19)28)26-7-6-14-13(2)24-11-25-22(14)26/h3-7,11-12,16,19-21,23,27-28H,8-10H2,1-2H3/t12-,16+,19-,20-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...				US Patent US10709709 (2020) BindingDB Entry DOI: 10.7270/Q26113CC
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50523654 (CHEMBL4455651 | US10709709, Example 212) Show SMILES CC1CNCc2c(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(C)ncnc34)cc(C(F)F)c(F)c12 |r| Show InChI InChI=1S/C23H25F3N4O3/c1-10-7-27-8-14-16(5-13(22(25)26)19(24)18(10)14)33-17-6-15(20(31)21(17)32)30-4-3-12-11(2)28-9-29-23(12)30/h3-5,9-10,15,17,20-22,27,31-32H,6-8H2,1-2H3/t10?,15-,17+,20+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...				US Patent US10709709 (2020) BindingDB Entry DOI: 10.7270/Q26113CC
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50523654 (CHEMBL4455651 | US10709709, Example 212) Show SMILES CC1CNCc2c(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(C)ncnc34)cc(C(F)F)c(F)c12 |r| Show InChI InChI=1S/C23H25F3N4O3/c1-10-7-27-8-14-16(5-13(22(25)26)19(24)18(10)14)33-17-6-15(20(31)21(17)32)30-4-3-12-11(2)28-9-29-23(12)30/h3-5,9-10,15,17,20-22,27,31-32H,6-8H2,1-2H3/t10?,15-,17+,20+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...				US Patent US10709709 (2020) BindingDB Entry DOI: 10.7270/Q26113CC
					More data for this Ligand-Target Pair

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