Compile Data Set for Download or QSAR

Found 158 hits with Last Name = 'jernigan' and Initial = 'fe'   

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
ATP-citrate synthase (Rattus norvegicus)	BDBM50394674 (CHEMBL2165254) Show SMILES Cc1cc(O)c2C(=O)c3c(O)c(Cl)c(O)cc3Cc2c1 Show InChI InChI=1S/C15H11ClO4/c1-6-2-7-4-8-5-10(18)13(16)15(20)12(8)14(19)11(7)9(17)3-6/h2-3,5,17-18,20H,4H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	283	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Wistar rat liver ATP citrate lyase using tripotassium citrate as substrate by malate dehydrogenase-based oxaloacetate reduction assay				Eur J Med Chem 126: 920-928 (2017) Article DOI: 10.1016/j.ejmech.2016.12.018 BindingDB Entry DOI: 10.7270/Q2028TSK
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50209010 (3,5-dichloro-2-hydroxy-N-(4-methoxy-biphenyl-3-yl)...) Show SMILES COc1ccc(cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O)-c1ccccc1 Show InChI InChI=1S/C19H15Cl2NO4S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)22-27(24,25)18-11-14(20)10-15(21)19(18)23/h2-11,22-23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	377	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate by ADP-Glo luminescence assay				Bioorg Med Chem Lett 27: 929-935 (2017) Article DOI: 10.1016/j.bmcl.2017.01.001 BindingDB Entry DOI: 10.7270/Q2MP55HS
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50209010 (3,5-dichloro-2-hydroxy-N-(4-methoxy-biphenyl-3-yl)...) Show SMILES COc1ccc(cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O)-c1ccccc1 Show InChI InChI=1S/C19H15Cl2NO4S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)22-27(24,25)18-11-14(20)10-15(21)19(18)23/h2-11,22-23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	442	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay				Eur J Med Chem 126: 920-928 (2017) Article DOI: 10.1016/j.ejmech.2016.12.018 BindingDB Entry DOI: 10.7270/Q2028TSK
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50234009 (CHEMBL3261914) Show SMILES Cc1cc(O)c2C(=O)c3c(O)c(Br)c(O)c(Br)c3C(=O)c2c1 Show InChI InChI=1S/C15H8Br2O5/c1-4-2-5-7(6(18)3-4)13(20)9-8(12(5)19)10(16)15(22)11(17)14(9)21/h2-3,18,21-22H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay				Eur J Med Chem 126: 920-928 (2017) Article DOI: 10.1016/j.ejmech.2016.12.018 BindingDB Entry DOI: 10.7270/Q2028TSK
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50234013 (CHEMBL4084819) Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)c(Cl)c3Cc2c1 Show InChI InChI=1S/C15H11ClO4/c1-6-2-7-4-8-13(10(18)5-11(19)14(8)16)15(20)12(7)9(17)3-6/h2-3,5,17-19H,4H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay				Eur J Med Chem 126: 920-928 (2017) Article DOI: 10.1016/j.ejmech.2016.12.018 BindingDB Entry DOI: 10.7270/Q2028TSK
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50234436 (CHEMBL4094117) Show SMILES CCCc1cc2c(cc(=O)oc2cc1OCc1cc(oc1C)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C25H22O6/c1-3-7-17-10-20-19(16-8-5-4-6-9-16)12-24(26)31-22(20)13-21(17)29-14-18-11-23(25(27)28)30-15(18)2/h4-6,8-13H,3,7,14H2,1-2H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate by ADP-Glo luminescence assay				Bioorg Med Chem Lett 27: 929-935 (2017) Article DOI: 10.1016/j.bmcl.2017.01.001 BindingDB Entry DOI: 10.7270/Q2MP55HS
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50234008 (CHEMBL3261915) Show SMILES Cc1cc(O)c2C(=O)c3c(O)c(I)c(O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H9IO5/c1-5-2-6-10(8(17)3-5)14(20)11-7(13(6)19)4-9(18)12(16)15(11)21/h2-4,17-18,21H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay				Eur J Med Chem 126: 920-928 (2017) Article DOI: 10.1016/j.ejmech.2016.12.018 BindingDB Entry DOI: 10.7270/Q2028TSK
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50234010 (CHEMBL4065663) Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)c(Cl)c3C(=O)c2c1 Show InChI InChI=1S/C15H9ClO5/c1-5-2-6-10(7(17)3-5)15(21)11-8(18)4-9(19)13(16)12(11)14(6)20/h2-4,17-19H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay				Eur J Med Chem 126: 920-928 (2017) Article DOI: 10.1016/j.ejmech.2016.12.018 BindingDB Entry DOI: 10.7270/Q2028TSK
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564857 (US11414387, Compound 11) Show SMILES Cc1ccc2c(c1)n(CC(O)=O)c1c(C)cccc1c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564872 (US11414387, Compound 26) Show SMILES OC(=O)Cn1c2ccccc2c(=O)c2ccc(CCc3ccccc3)cc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564855 (US11414387, Compound 9) Show SMILES OC(=O)Cn1c2ccccc2c(=O)c2ccc3CCCCc3c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564858 (US11414387, Compound 12) Show SMILES Cc1ccc2c(c1)n(CC(O)=O)c1c(Cl)cccc1c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50234438 (CHEMBL4072433) Show SMILES Cc1oc(cc1COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1)C(O)=O Show InChI InChI=1S/C24H20O6/c1-14-19-9-8-18(28-13-17-11-22(23(25)26)29-15(17)2)12-21(19)30-24(27)20(14)10-16-6-4-3-5-7-16/h3-9,11-12H,10,13H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate by ADP-Glo luminescence assay				Bioorg Med Chem Lett 27: 929-935 (2017) Article DOI: 10.1016/j.bmcl.2017.01.001 BindingDB Entry DOI: 10.7270/Q2MP55HS
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50234016 (CHEMBL4093300) Show SMILES Cc1cc(O)c2C(=O)c3c(O)c(Cl)c(O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H9ClO5/c1-5-2-6-10(8(17)3-5)14(20)11-7(13(6)19)4-9(18)12(16)15(11)21/h2-4,17-18,21H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay				Eur J Med Chem 126: 920-928 (2017) Article DOI: 10.1016/j.ejmech.2016.12.018 BindingDB Entry DOI: 10.7270/Q2028TSK
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50234012 (CHEMBL4062121) Show SMILES Cc1cc(O)c2C(=O)c3c(O)c(-c4cnn(C)c4)c(O)cc3C(=O)c2c1 Show InChI InChI=1S/C19H14N2O5/c1-8-3-10-15(12(22)4-8)19(26)16-11(17(10)24)5-13(23)14(18(16)25)9-6-20-21(2)7-9/h3-7,22-23,25H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay				Eur J Med Chem 126: 920-928 (2017) Article DOI: 10.1016/j.ejmech.2016.12.018 BindingDB Entry DOI: 10.7270/Q2028TSK
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50234437 (CHEMBL4061755) Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1cc2c(C(O)=O)c(C)oc2c2ccccc12 Show InChI InChI=1S/C22H19NO5S/c1-3-14-8-10-15(11-9-14)29(26,27)23-19-12-18-20(22(24)25)13(2)28-21(18)17-7-5-4-6-16(17)19/h4-12,23H,3H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate by ADP-Glo luminescence assay				Bioorg Med Chem Lett 27: 929-935 (2017) Article DOI: 10.1016/j.bmcl.2017.01.001 BindingDB Entry DOI: 10.7270/Q2MP55HS
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50234006 (CHEMBL4104369) Show SMILES COc1ccc(cc1)-c1c(O)cc2C(=O)c3cc(C)cc(O)c3C(=O)c2c1O Show InChI InChI=1S/C22H16O6/c1-10-7-13-18(15(23)8-10)22(27)19-14(20(13)25)9-16(24)17(21(19)26)11-3-5-12(28-2)6-4-11/h3-9,23-24,26H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay				Eur J Med Chem 126: 920-928 (2017) Article DOI: 10.1016/j.ejmech.2016.12.018 BindingDB Entry DOI: 10.7270/Q2028TSK
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50234011 (CHEMBL4091629) Show SMILES Cc1cc(O)c2C(=O)c3c(O)c(c(O)cc3C(=O)c2c1)-c1cccnc1 Show InChI InChI=1S/C20H13NO5/c1-9-5-11-16(13(22)6-9)20(26)17-12(18(11)24)7-14(23)15(19(17)25)10-3-2-4-21-8-10/h2-8,22-23,25H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay				Eur J Med Chem 126: 920-928 (2017) Article DOI: 10.1016/j.ejmech.2016.12.018 BindingDB Entry DOI: 10.7270/Q2028TSK
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50234007 (CHEMBL4103478) Show SMILES COc1cccc(c1)-c1c(O)cc2C(=O)c3cc(C)cc(O)c3C(=O)c2c1O Show InChI InChI=1S/C22H16O6/c1-10-6-13-18(15(23)7-10)22(27)19-14(20(13)25)9-16(24)17(21(19)26)11-4-3-5-12(8-11)28-2/h3-9,23-24,26H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay				Eur J Med Chem 126: 920-928 (2017) Article DOI: 10.1016/j.ejmech.2016.12.018 BindingDB Entry DOI: 10.7270/Q2028TSK
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50234017 (CHEMBL4083854) Show SMILES Cc1cc(O)c2C(=O)c3c(O)c(c(O)c(-c4cccnc4)c3C(=O)c2c1)-c1cccnc1 Show InChI InChI=1S/C25H16N2O5/c1-12-8-15-19(16(28)9-12)25(32)21-20(22(15)29)17(13-4-2-6-26-10-13)23(30)18(24(21)31)14-5-3-7-27-11-14/h2-11,28,30-31H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay				Eur J Med Chem 126: 920-928 (2017) Article DOI: 10.1016/j.ejmech.2016.12.018 BindingDB Entry DOI: 10.7270/Q2028TSK
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50234018 (CHEMBL4099000) Show SMILES Cc1cc(O)c2C(=O)c3c(O)c4CN(COc4cc3C(=O)c2c1)c1ccccc1 Show InChI InChI=1S/C23H17NO5/c1-12-7-14-19(17(25)8-12)23(28)20-15(21(14)26)9-18-16(22(20)27)10-24(11-29-18)13-5-3-2-4-6-13/h2-9,25,27H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay				Eur J Med Chem 126: 920-928 (2017) Article DOI: 10.1016/j.ejmech.2016.12.018 BindingDB Entry DOI: 10.7270/Q2028TSK
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50234014 (CHEMBL4072039) Show SMILES Cc1cc(O)c2C(=O)c3c(O)c4CN(COc4cc3C(=O)c2c1)c1ccc2ocnc2c1 Show InChI InChI=1S/C24H16N2O6/c1-11-4-13-20(17(27)5-11)24(30)21-14(22(13)28)7-19-15(23(21)29)8-26(10-32-19)12-2-3-18-16(6-12)25-9-31-18/h2-7,9,27,29H,8,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay				Eur J Med Chem 126: 920-928 (2017) Article DOI: 10.1016/j.ejmech.2016.12.018 BindingDB Entry DOI: 10.7270/Q2028TSK
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564935 (US11414387, Compound 98) Show SMILES Cc1c(Cl)ccc2c1n(CC(O)=O)c1ccccc1c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50234015 (CHEMBL4095719) Show SMILES Cc1cccc(c1)-c1c(O)cc2C(=O)c3cc(C)cc(O)c3C(=O)c2c1O Show InChI InChI=1S/C22H16O5/c1-10-4-3-5-12(6-10)17-16(24)9-14-19(21(17)26)22(27)18-13(20(14)25)7-11(2)8-15(18)23/h3-9,23-24,26H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay				Eur J Med Chem 126: 920-928 (2017) Article DOI: 10.1016/j.ejmech.2016.12.018 BindingDB Entry DOI: 10.7270/Q2028TSK
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564197 (US11414387, Compound 3) Show SMILES Cc1cccc2n(CC(O)=O)c3ccccc3c(=O)c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564247 (US11414387, Compound 5) Show SMILES OC(=O)Cn1c2ccccc2c(=O)c2ccc(Cl)cc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564250 (US11414387, Compound 6) Show SMILES Cc1ccc2c(c1)n(CC(O)=O)c1ccccc1c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564281 (US11414387, Compound 7) Show SMILES Cc1cccc2c1n(CC(O)=O)c1ccccc1c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564854 (US11414387, Compound 8) Show SMILES OC(=O)Cn1c2ccccc2c(=O)c2cccc(Cl)c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564856 (US11414387, Compound 10) Show SMILES Cc1ccc2n(CC(O)=O)c3ccccc3c(=O)c2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564859 (US11414387, Compound 13 | US11414387, Compound 97) Show SMILES OC(=O)Cn1c2ccccc2c(=O)c2ccc(Cl)c(Cl)c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564860 (US11414387, Compound 14) Show SMILES Cc1ccc2c(c1)n(CC(O)=O)c1cccc(C)c1c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564861 (US11414387, Compound 15 | US11414387, Compound 24) Show SMILES Cc1ccc2c(c1)n(CC(O)=O)c1cc(C)ccc1c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564862 (US11414387, Compound 16) Show SMILES Cc1ccc2c(c1)n(CC(O)=O)c1cccc(Cl)c1c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564863 (US11414387, Compound 17) Show SMILES Cc1ccc2c(c1)n(CC(O)=O)c1cc(Cl)ccc1c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564864 (US11414387, Compound 18) Show SMILES OC(=O)Cn1c2ccccc2c(=O)c2ccc(Br)cc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564865 (US11414387, Compound 19) Show SMILES Cc1ccc2c(c1Cl)n(CC(O)=O)c1ccccc1c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564868 (US11414387, Compound 22) Show SMILES OC(=O)Cn1c2ccccc2c(=O)c2cc(ccc12)C#Cc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564869 (US11414387, Compound 23) Show SMILES OC(=O)Cn1c2ccccc2c(=O)c2cc(CCc3ccccc3)ccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564871 (US11414387, Compound 25) Show SMILES OC(=O)Cn1c2ccccc2c(=O)c2ccc(cc12)C#Cc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564874 (US11414387, Compound 28) Show SMILES Cc1c(ccc2c1n(CC(O)=O)c1ccccc1c2=O)C1=CCCCC1 |t:23| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564875 (US11414387, Compound 29 | US11414387, Compound 85) Show SMILES Cc1ccc2c(c1)n(CC(O)=O)c1c(Cl)c(Cl)ccc1c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564879 (US11414387, Compound 33) Show SMILES Cc1ccc2c(c1)n(CC(O)=O)c1cc(F)ccc1c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564880 (US11414387, Compound 34) Show SMILES COc1ccc2c(c1)n(CC(O)=O)c1cc(C)ccc1c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564881 (US11414387, Compound 35) Show SMILES COc1ccc2c(c1)n(CC(O)=O)c1cccc(C)c1c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564882 (US11414387, Compound 36) Show SMILES Cc1ccc2c(c1)n(CC(O)=O)c1cccc(F)c1c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564890 (US11414387, Compound 47) Show SMILES CC(C)(C)c1ccc2c(c1)n(CC(O)=O)c1c(Cl)c(Cl)ccc1c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564895 (US11414387, Compound 53) Show SMILES Cc1ccc2c(c1)n(CC(O)=O)c1cc(Br)ccc1c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564901 (US11414387, Compound 59) Show SMILES OC(=O)Cn1c2cc(NC3CCCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-328] (Mus musculus (Mouse))	BDBM564902 (US11414387, Compound 60) Show SMILES OC(=O)Cn1c2cc(ccc2c(=O)c2ccc(Cl)c(Cl)c12)N1CCOCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 μM] was inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP7853
					More data for this Ligand-Target Pair

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