Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 9934   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Stimulator of interferon genes protein [138-378] (Mus musculus (Mouse))	BDBM501204 (US11021511, Compound 4) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC2COP(O)(=O)OC3C4OCC3(COP(O)(=O)OC1C2CO)OC4n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description The human STING SPA binding assay measures displacement of tritium labeled 2′,3′cGAMP (cyclic (guanosine-(2′→5′)-monoph...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-379,H232R] (Homo sapiens (Human))	BDBM501364 (US11021511, Compound 6c) Show SMILES CO[C@@H]1[C@H]2CO[P@@](S)(=O)O[C@@H]3[C@@H](CO[P@@](S)(=O)O[C@H]1[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description The human STING SPA binding assay measures displacement of tritium labeled 2′,3′cGAMP (cyclic (guanosine-(2′→5′)-monoph...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [138-378] (Mus musculus (Mouse))	BDBM501363 (US11021511, Compound 6b) Show SMILES CO[C@@H]1[C@H]2CO[P@@](S)(=O)O[C@@H]3[C@@H](CO[P@](S)(=O)O[C@H]1[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description The human STING SPA binding assay measures displacement of tritium labeled 2′,3′cGAMP (cyclic (guanosine-(2′→5′)-monoph...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-379,H232R] (Homo sapiens (Human))	BDBM501362 (US11021511, Compound 6a) Show SMILES CO[C@@H]1[C@H]2CO[P@](S)(=O)O[C@@H]3[C@@H](CO[P@@](S)(=O)O[C@H]1[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description The human STING SPA binding assay measures displacement of tritium labeled 2′,3′cGAMP (cyclic (guanosine-(2′→5′)-monoph...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-379,H232R] (Homo sapiens (Human))	BDBM501361 (US11021511, Compound 5) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC2COP(O)(=O)OC3C(COP(O)(=O)OC1C2CO)OC(C3F)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description The human STING SPA binding assay measures displacement of tritium labeled 2′,3′cGAMP (cyclic (guanosine-(2′→5′)-monoph...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-379,H232R] (Homo sapiens (Human))	BDBM501363 (US11021511, Compound 6b) Show SMILES CO[C@@H]1[C@H]2CO[P@@](S)(=O)O[C@@H]3[C@@H](CO[P@](S)(=O)O[C@H]1[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description The human STING SPA binding assay measures displacement of tritium labeled 2′,3′cGAMP (cyclic (guanosine-(2′→5′)-monoph...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-379,H232R] (Homo sapiens (Human))	BDBM501204 (US11021511, Compound 4) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC2COP(O)(=O)OC3C4OCC3(COP(O)(=O)OC1C2CO)OC4n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description The human STING SPA binding assay measures displacement of tritium labeled 2′,3′cGAMP (cyclic (guanosine-(2′→5′)-monoph...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [138-378] (Mus musculus (Mouse))	BDBM501364 (US11021511, Compound 6c) Show SMILES CO[C@@H]1[C@H]2CO[P@@](S)(=O)O[C@@H]3[C@@H](CO[P@@](S)(=O)O[C@H]1[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description The human STING SPA binding assay measures displacement of tritium labeled 2′,3′cGAMP (cyclic (guanosine-(2′→5′)-monoph...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [138-378] (Mus musculus (Mouse))	BDBM501361 (US11021511, Compound 5) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC2COP(O)(=O)OC3C(COP(O)(=O)OC1C2CO)OC(C3F)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description The human STING SPA binding assay measures displacement of tritium labeled 2′,3′cGAMP (cyclic (guanosine-(2′→5′)-monoph...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-379,H232R] (Homo sapiens (Human))	BDBM501193 (US11021511, Compound 1) Show SMILES CC1(O)C(OC2COP(O)(=O)OC3C(O)C(COP(O)(=O)OC12)OC3n1cnc2c1nc(N)[nH]c2=O)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	5.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description The human STING SPA binding assay measures displacement of tritium labeled 2′,3′cGAMP (cyclic (guanosine-(2′→5′)-monoph...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-379,H232R] (Homo sapiens (Human))	BDBM501364 (US11021511, Compound 6c) Show SMILES CO[C@@H]1[C@H]2CO[P@@](S)(=O)O[C@@H]3[C@@H](CO[P@@](S)(=O)O[C@H]1[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description Compounds were analyzed on an S200 biacore SPR instrument (GE Healthcare). E. coli produced truncated STING protein was immobilized on a series S str...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-379,H232R] (Homo sapiens (Human))	BDBM501364 (US11021511, Compound 6c) Show SMILES CO[C@@H]1[C@H]2CO[P@@](S)(=O)O[C@@H]3[C@@H](CO[P@@](S)(=O)O[C@H]1[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description Agonism of the human STING pathway is assessed in THP1-ISG cells (Invivogen, cat #thp-isg) derived from human THP1 monocyte cell line by stable integ...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-379,H232R] (Homo sapiens (Human))	BDBM501363 (US11021511, Compound 6b) Show SMILES CO[C@@H]1[C@H]2CO[P@@](S)(=O)O[C@@H]3[C@@H](CO[P@](S)(=O)O[C@H]1[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description Compounds were analyzed on an S200 biacore SPR instrument (GE Healthcare). E. coli produced truncated STING protein was immobilized on a series S str...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-379,H232R] (Homo sapiens (Human))	BDBM501363 (US11021511, Compound 6b) Show SMILES CO[C@@H]1[C@H]2CO[P@@](S)(=O)O[C@@H]3[C@@H](CO[P@](S)(=O)O[C@H]1[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	107	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description Agonism of the human STING pathway is assessed in THP1-ISG cells (Invivogen, cat #thp-isg) derived from human THP1 monocyte cell line by stable integ...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-379,H232R] (Homo sapiens (Human))	BDBM501362 (US11021511, Compound 6a) Show SMILES CO[C@@H]1[C@H]2CO[P@](S)(=O)O[C@@H]3[C@@H](CO[P@@](S)(=O)O[C@H]1[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description Compounds were analyzed on an S200 biacore SPR instrument (GE Healthcare). E. coli produced truncated STING protein was immobilized on a series S str...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-379,H232R] (Homo sapiens (Human))	BDBM501362 (US11021511, Compound 6a) Show SMILES CO[C@@H]1[C@H]2CO[P@](S)(=O)O[C@@H]3[C@@H](CO[P@@](S)(=O)O[C@H]1[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description Agonism of the human STING pathway is assessed in THP1-ISG cells (Invivogen, cat #thp-isg) derived from human THP1 monocyte cell line by stable integ...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-379,H232R] (Homo sapiens (Human))	BDBM501361 (US11021511, Compound 5) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC2COP(O)(=O)OC3C(COP(O)(=O)OC1C2CO)OC(C3F)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description Compounds were analyzed on an S200 biacore SPR instrument (GE Healthcare). E. coli produced truncated STING protein was immobilized on a series S str...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-379,H232R] (Homo sapiens (Human))	BDBM501361 (US11021511, Compound 5) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC2COP(O)(=O)OC3C(COP(O)(=O)OC1C2CO)OC(C3F)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description Agonism of the human STING pathway is assessed in THP1-ISG cells (Invivogen, cat #thp-isg) derived from human THP1 monocyte cell line by stable integ...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-379,H232R] (Homo sapiens (Human))	BDBM501204 (US11021511, Compound 4) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC2COP(O)(=O)OC3C4OCC3(COP(O)(=O)OC1C2CO)OC4n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description Agonism of the human STING pathway is assessed in THP1-ISG cells (Invivogen, cat #thp-isg) derived from human THP1 monocyte cell line by stable integ...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein [139-379,H232R] (Homo sapiens (Human))	BDBM501193 (US11021511, Compound 1) Show SMILES CC1(O)C(OC2COP(O)(=O)OC3C(O)C(COP(O)(=O)OC12)OC3n1cnc2c1nc(N)[nH]c2=O)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a
Janssen Biotech, Inc. US Patent					Assay Description Agonism of the human STING pathway is assessed in THP1-ISG cells (Invivogen, cat #thp-isg) derived from human THP1 monocyte cell line by stable integ...				US Patent US11021511 (2021)
					More data for this Ligand-Target Pair