Compile Data Set for Download or QSAR

Found 281 hits with Last Name = 'saltiel' and Initial = 'ar'   

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
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357915 ((E)-2-(((Dimethylamino)methylene)amino)-7-isopropy...) Show SMILES CC(C)c1ccc2oc3nc(\N=C\N(C)C)c(cc3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C19H19N3O4/c1-10(2)11-5-6-15-12(7-11)16(23)13-8-14(19(24)25)17(20-9-22(3)4)21-18(13)26-15/h5-10H,1-4H3,(H,24,25)/b20-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357864 (US10214536, Compound 24) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)N1CCOCC1 Show InChI InChI=1S/C17H15N3O5/c18-15-12(17(22)23)8-11-14(21)10-7-9(20-3-5-24-6-4-20)1-2-13(10)25-16(11)19-15/h1-2,7-8H,3-6H2,(H2,18,19)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357870 (US10214536, Compound 38) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCN(CC1)C=O Show InChI InChI=1S/C19H17N3O5/c20-17-14(19(25)26)8-13-16(24)12-7-11(1-2-15(12)27-18(13)21-17)10-3-5-22(9-23)6-4-10/h1-2,7-10H,3-6H2,(H2,20,21)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357869 (US10214536, Compound 36) Show SMILES CC(=O)N1CCC(CC1)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C20H19N3O5/c1-10(24)23-6-4-11(5-7-23)12-2-3-16-13(8-12)17(25)14-9-15(20(26)27)18(21)22-19(14)28-16/h2-3,8-9,11H,4-7H2,1H3,(H2,21,22)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357894 (US10214536, Compound 76) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCS(=O)(=O)CC1 Show InChI InChI=1S/C18H16N2O6S/c19-16-13(18(22)23)8-12-15(21)11-7-10(1-2-14(11)26-17(12)20-16)9-3-5-27(24,25)6-4-9/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357921 (US10214536, Compound 288) Show SMILES CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(=O)Nc1nnn[nH]1 Show InChI InChI=1S/C17H15N7O3/c1-7(2)8-3-4-12-9(5-8)13(25)10-6-11(14(18)19-16(10)27-12)15(26)20-17-21-23-24-22-17/h3-7H,1-2H3,(H2,18,19)(H2,20,21,22,23,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357919 (US10214536, Compound 286) Show SMILES CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)-c1nnn[nH]1 Show InChI InChI=1S/C16H14N6O2/c1-7(2)8-3-4-12-9(5-8)13(23)10-6-11(15-19-21-22-20-15)14(17)18-16(10)24-12/h3-7H,1-2H3,(H2,17,18)(H,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357877 (US10214536, Compound 53) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC(O)CC1 |(6.67,2.69,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;,1.93,;-1.33,2.69,;-2.67,1.93,;-2.67,.38,;-1.33,-.38,;,.38,;1.33,-.38,;1.33,-1.93,;2.67,.38,;4,-.38,;5.33,.38,;6.67,-.38,;8,.38,;6.67,-1.93,;-4,-.38,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-8,-2.69,;-5.33,-2.69,;-4,-1.93,)| Show InChI InChI=1S/C19H18N2O5/c20-17-14(19(24)25)8-13-16(23)12-7-10(9-1-4-11(22)5-2-9)3-6-15(12)26-18(13)21-17/h3,6-9,11,22H,1-2,4-5H2,(H2,20,21)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357872 (US10214536, Compound 42) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCOCC1 Show InChI InChI=1S/C18H16N2O5/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-5-24-6-4-9)1-2-14(11)25-17(12)20-16/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50469234 (CHEMBL4291966) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nn[nH]n1)C1=CCCCC1 |t:25| Show InChI InChI=1S/C19H16N6O2/c20-17-14(18-22-24-25-23-18)9-13-16(26)12-8-11(10-4-2-1-3-5-10)6-7-15(12)27-19(13)21-17/h4,6-9H,1-3,5H2,(H2,20,21)(H,22,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human IKKepsilon (1 to 655 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in pres...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50469234 (CHEMBL4291966) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nn[nH]n1)C1=CCCCC1 |t:25| Show InChI InChI=1S/C19H16N6O2/c20-17-14(18-22-24-25-23-18)9-13-16(26)12-8-11(10-4-2-1-3-5-10)6-7-15(12)27-19(13)21-17/h4,6-9H,1-3,5H2,(H2,20,21)(H,22,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human IKKepsilon (1 to 655 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in pres...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357866 (US10214536, Compound 28) Show SMILES NC1Oc2oc3ccc(cc3c(=O)c2C=C1C(=O)Nc1nnn[nH]1)N1CCOCC1 |c:16| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357865 (US10214536, Compound 26) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nnn[nH]1)N1CCOCC1 Show InChI InChI=1S/C17H15N7O3/c18-15-12(16-20-22-23-21-16)8-11-14(25)10-7-9(24-3-5-26-6-4-24)1-2-13(10)27-17(11)19-15/h1-2,7-8H,3-6H2,(H2,18,19)(H,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50291640 (CHEMBL274146 | Dipeptide Ligand) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(N)=O Show InChI InChI=1S/C29H35N4O16P3/c1-17(34)31-25(15-19-4-10-22(11-5-19)48-51(41,42)43)28(36)33-26(16-20-6-12-23(13-7-20)49-52(44,45)46)29(37)32-24(27(30)35)14-18-2-8-21(9-3-18)47-50(38,39)40/h2-13,24-26H,14-16H2,1H3,(H2,30,35)(H,31,34)(H,32,37)(H,33,36)(H2,38,39,40)(H2,41,42,43)(H2,44,45,46)/t24-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-labeled phosphopeptide binding to a Src protein tryrosine kinase SH2 domain.				Bioorg Med Chem Lett 7: 1107-1112 (1997) Article DOI: 10.1016/S0960-894X(97)00190-X BindingDB Entry DOI: 10.7270/Q24F1QR8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357871 (US10214536, Compound 40) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCOCC1 |t:22| Show InChI InChI=1S/C18H14N2O5/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-5-24-6-4-9)1-2-14(11)25-17(12)20-16/h1-3,7-8H,4-6H2,(H2,19,20)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357896 (US10214536, Compound 80) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC2(CC1)OCCO2 Show InChI InChI=1S/C21H20N2O6/c22-18-15(20(25)26)10-14-17(24)13-9-12(1-2-16(13)29-19(14)23-18)11-3-5-21(6-4-11)27-7-8-28-21/h1-2,9-11H,3-8H2,(H2,22,23)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357869 (US10214536, Compound 36) Show SMILES CC(=O)N1CCC(CC1)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C20H19N3O5/c1-10(24)23-6-4-11(5-7-23)12-2-3-16-13(8-12)17(25)14-9-15(20(26)27)18(21)22-19(14)28-16/h2-3,8-9,11H,4-7H2,1H3,(H2,21,22)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357869 (US10214536, Compound 36) Show SMILES CC(=O)N1CCC(CC1)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C20H19N3O5/c1-10(24)23-6-4-11(5-7-23)12-2-3-16-13(8-12)17(25)14-9-15(20(26)27)18(21)22-19(14)28-16/h2-3,8-9,11H,4-7H2,1H3,(H2,21,22)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357893 (US10214536, Compound 74) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCSCC1 Show InChI InChI=1S/C18H16N2O4S/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-5-25-6-4-9)1-2-14(11)24-17(12)20-16/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357893 (US10214536, Compound 74) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCSCC1 Show InChI InChI=1S/C18H16N2O4S/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-5-25-6-4-9)1-2-14(11)24-17(12)20-16/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357909 (2-Amino-8-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridi...) Show SMILES CC(C)c1ccc2c(c1)oc1nc(N)c(cc1c2=O)C(O)=O Show InChI InChI=1S/C16H14N2O4/c1-7(2)8-3-4-9-12(5-8)22-15-10(13(9)19)6-11(16(20)21)14(17)18-15/h3-7H,1-2H3,(H2,17,18)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357909 (2-Amino-8-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridi...) Show SMILES CC(C)c1ccc2c(c1)oc1nc(N)c(cc1c2=O)C(O)=O Show InChI InChI=1S/C16H14N2O4/c1-7(2)8-3-4-9-12(5-8)22-15-10(13(9)19)6-11(16(20)21)14(17)18-15/h3-7H,1-2H3,(H2,17,18)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50469231 (CHEMBL4288542) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nn[nH]n1)N1CCOCC1 Show InChI InChI=1S/C17H15N7O3/c18-15-12(16-20-22-23-21-16)8-11-14(25)10-7-9(24-3-5-26-6-4-24)1-2-13(10)27-17(11)19-15/h1-2,7-8H,3-6H2,(H2,18,19)(H,20,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	309	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human IKKepsilon (1 to 655 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in pres...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50469231 (CHEMBL4288542) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nn[nH]n1)N1CCOCC1 Show InChI InChI=1S/C17H15N7O3/c18-15-12(16-20-22-23-21-16)8-11-14(25)10-7-9(24-3-5-26-6-4-24)1-2-13(10)27-17(11)19-15/h1-2,7-8H,3-6H2,(H2,18,19)(H,20,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human IKKepsilon (1 to 655 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in pres...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357891 (US10214536, Compound 69) Show SMILES NNC(=N)c1cc2c(nc1N)oc1ccc(cc1c2=O)C1=CCCCC1 |t:23| Show InChI InChI=1S/C19H19N5O2/c20-17-14(18(21)24-22)9-13-16(25)12-8-11(10-4-2-1-3-5-10)6-7-15(12)26-19(13)23-17/h4,6-9H,1-3,5,22H2,(H2,20,23)(H2,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357897 (US10214536, Compound 81) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC(=O)CC1 Show InChI InChI=1S/C19H16N2O5/c20-17-14(19(24)25)8-13-16(23)12-7-10(9-1-4-11(22)5-2-9)3-6-15(12)26-18(13)21-17/h3,6-9H,1-2,4-5H2,(H2,20,21)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357860 (US10214536, Compound 11) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCCC1 Show InChI InChI=1S/C18H16N2O4/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-1-2-4-9)5-6-14(11)24-17(12)20-16/h5-9H,1-4H2,(H2,19,20)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50287070 ((S)-2-[(2S,3S)-2-(4-Carboxy-2-{4-carboxy-2-[(R)-3-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C32H45N4O18P/c1-3-16(2)27(31(48)35-22(32(49)50)10-13-25(41)42)36-30(47)21(9-12-24(39)40)34-29(46)20(8-11-23(37)38)33-28(45)18(15-26(43)44)14-17-4-6-19(7-5-17)54-55(51,52)53/h4-7,16,18,20-22,27H,3,8-15H2,1-2H3,(H,33,45)(H,34,46)(H,35,48)(H,36,47)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,49,50)(H2,51,52,53)/t16-,18+,20?,21?,22-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to p60 src SH2 domain.				Bioorg Med Chem Lett 6: 1209-1214 (1996) Article DOI: 10.1016/0960-894X(96)00208-9 BindingDB Entry DOI: 10.7270/Q26W9B2W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357889 (US10214536, Compound 65) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC(F)(F)CC1 Show InChI InChI=1S/C19H16F2N2O4/c20-19(21)5-3-9(4-6-19)10-1-2-14-11(7-10)15(24)12-8-13(18(25)26)16(22)23-17(12)27-14/h1-2,7-9H,3-6H2,(H2,22,23)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357929 (US10214536, Compound 296) Show SMILES Nc1nc2oc3ccc(C=C)cc3c(=O)c2cc1C(O)=O Show InChI InChI=1S/C15H10N2O4/c1-2-7-3-4-11-8(5-7)12(18)9-6-10(15(19)20)13(16)17-14(9)21-11/h2-6H,1H2,(H2,16,17)(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357914 (2-Amino-8-fluoro-7-isopropyl-5-oxo-5H-chromeno[2,3...) Show SMILES CC(C)c1cc2c(cc1F)oc1nc(N)c(cc1c2=O)C(O)=O Show InChI InChI=1S/C16H13FN2O4/c1-6(2)7-3-8-12(5-11(7)17)23-15-9(13(8)20)4-10(16(21)22)14(18)19-15/h3-6H,1-2H3,(H2,18,19)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357930 (US10214536, Compound 297) Show SMILES CN(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C15H13N3O4/c1-18(2)7-3-4-11-8(5-7)12(19)9-6-10(15(20)21)13(16)17-14(9)22-11/h3-6H,1-2H3,(H2,16,17)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357914 (2-Amino-8-fluoro-7-isopropyl-5-oxo-5H-chromeno[2,3...) Show SMILES CC(C)c1cc2c(cc1F)oc1nc(N)c(cc1c2=O)C(O)=O Show InChI InChI=1S/C16H13FN2O4/c1-6(2)7-3-8-12(5-11(7)17)23-15-9(13(8)20)4-10(16(21)22)14(18)19-15/h3-6H,1-2H3,(H2,18,19)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357930 (US10214536, Compound 297) Show SMILES CN(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C15H13N3O4/c1-18(2)7-3-4-11-8(5-7)12(19)9-6-10(15(20)21)13(16)17-14(9)22-11/h3-6H,1-2H3,(H2,16,17)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357931 (US10214536, Compound 298) Show SMILES CN(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(=N)NN Show InChI InChI=1S/C15H16N6O2/c1-21(2)7-3-4-11-8(5-7)12(22)9-6-10(14(17)20-18)13(16)19-15(9)23-11/h3-6H,18H2,1-2H3,(H2,16,19)(H2,17,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357909 (2-Amino-8-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridi...) Show SMILES CC(C)c1ccc2c(c1)oc1nc(N)c(cc1c2=O)C(O)=O Show InChI InChI=1S/C16H14N2O4/c1-7(2)8-3-4-9-12(5-8)22-15-10(13(9)19)6-11(16(20)21)14(17)18-15/h3-7H,1-2H3,(H2,17,18)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357896 (US10214536, Compound 80) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC2(CC1)OCCO2 Show InChI InChI=1S/C21H20N2O6/c22-18-15(20(25)26)10-14-17(24)13-9-12(1-2-16(13)29-19(14)23-18)11-3-5-21(6-4-11)27-7-8-28-21/h1-2,9-11H,3-8H2,(H2,22,23)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357897 (US10214536, Compound 81) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC(=O)CC1 Show InChI InChI=1S/C19H16N2O5/c20-17-14(19(24)25)8-13-16(23)12-7-10(9-1-4-11(22)5-2-9)3-6-15(12)26-18(13)21-17/h3,6-9H,1-2,4-5H2,(H2,20,21)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357897 (US10214536, Compound 81) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC(=O)CC1 Show InChI InChI=1S/C19H16N2O5/c20-17-14(19(24)25)8-13-16(23)12-7-10(9-1-4-11(22)5-2-9)3-6-15(12)26-18(13)21-17/h3,6-9H,1-2,4-5H2,(H2,20,21)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50469234 (CHEMBL4291966) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nn[nH]n1)C1=CCCCC1 |t:25| Show InChI InChI=1S/C19H16N6O2/c20-17-14(18-22-24-25-23-18)9-13-16(26)12-8-11(10-4-2-1-3-5-10)6-7-15(12)27-19(13)21-17/h4,6-9H,1-3,5H2,(H2,20,21)(H,22,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357870 (US10214536, Compound 38) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCN(CC1)C=O Show InChI InChI=1S/C19H17N3O5/c20-17-14(19(25)26)8-13-16(24)12-7-11(1-2-15(12)27-18(13)21-17)10-3-5-22(9-23)6-4-10/h1-2,7-10H,3-6H2,(H2,20,21)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50469234 (CHEMBL4291966) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nn[nH]n1)C1=CCCCC1 |t:25| Show InChI InChI=1S/C19H16N6O2/c20-17-14(18-22-24-25-23-18)9-13-16(26)12-8-11(10-4-2-1-3-5-10)6-7-15(12)27-19(13)21-17/h4,6-9H,1-3,5H2,(H2,20,21)(H,22,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50450413 (CHEMBL328907) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C32H46N5O17P/c1-4-16(2)27(31(48)36-22(32(49)50)11-14-26(43)44)37-29(46)21(10-13-25(41)42)34-28(45)20(9-12-24(39)40)35-30(47)23(33-17(3)38)15-18-5-7-19(8-6-18)54-55(51,52)53/h5-8,16,20-23,27H,4,9-15H2,1-3H3,(H,33,38)(H,34,45)(H,35,47)(H,36,48)(H,37,46)(H,39,40)(H,41,42)(H,43,44)(H,49,50)(H2,51,52,53)/t16-,20-,21-,22-,23+,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to p60 src SH2 domain.				Bioorg Med Chem Lett 6: 1209-1214 (1996) Article DOI: 10.1016/0960-894X(96)00208-9 BindingDB Entry DOI: 10.7270/Q26W9B2W
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50060735 (2-[2-(2-{2-[(S)-2-Acetylamino-3-(4-phosphonooxy-ph...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C32H46N5O17P/c1-4-16(2)27(31(48)36-22(32(49)50)11-14-26(43)44)37-29(46)21(10-13-25(41)42)34-28(45)20(9-12-24(39)40)35-30(47)23(33-17(3)38)15-18-5-7-19(8-6-18)54-55(51,52)53/h5-8,16,20-23,27H,4,9-15H2,1-3H3,(H,33,38)(H,34,45)(H,35,47)(H,36,48)(H,37,46)(H,39,40)(H,41,42)(H,43,44)(H,49,50)(H2,51,52,53)/t16-,20-,21-,22-,23-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Radioligand displacement assay for the binding of [125I]-Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to SRC SH2 domain				Bioorg Med Chem Lett 7: 1909-1914 (1997) Article DOI: 10.1016/S0960-894X(97)00334-X BindingDB Entry DOI: 10.7270/Q26110BP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357893 (US10214536, Compound 74) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCSCC1 Show InChI InChI=1S/C18H16N2O4S/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-5-25-6-4-9)1-2-14(11)24-17(12)20-16/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357906 (Ethyl 2-amino-8-bromo-5-oxo-5H-chromeno[2,3-b]pyri...) Show SMILES CCOC(=O)c1cc2c(nc1N)oc1cc(Br)ccc1c2=O Show InChI InChI=1S/C15H11BrN2O4/c1-2-21-15(20)10-6-9-12(19)8-4-3-7(16)5-11(8)22-14(9)18-13(10)17/h3-6H,2H2,1H3,(H2,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...				US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50469235 (CHEMBL4281345) Show SMILES CN(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)-c1nn[nH]n1 Show InChI InChI=1S/C15H13N7O2/c1-22(2)7-3-4-11-8(5-7)12(23)9-6-10(14-18-20-21-19-14)13(16)17-15(9)24-11/h3-6H,1-2H3,(H2,16,17)(H,18,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	525	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50469235 (CHEMBL4281345) Show SMILES CN(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)-c1nn[nH]n1 Show InChI InChI=1S/C15H13N7O2/c1-22(2)7-3-4-11-8(5-7)12(23)9-6-10(14-18-20-21-19-14)13(16)17-15(9)24-11/h3-6H,1-2H3,(H2,16,17)(H,18,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50469231 (CHEMBL4288542) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nn[nH]n1)N1CCOCC1 Show InChI InChI=1S/C17H15N7O3/c18-15-12(16-20-22-23-21-16)8-11-14(25)10-7-9(24-3-5-26-6-4-24)1-2-13(10)27-17(11)19-15/h1-2,7-8H,3-6H2,(H2,18,19)(H,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	537	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50469231 (CHEMBL4288542) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nn[nH]n1)N1CCOCC1 Show InChI InChI=1S/C17H15N7O3/c18-15-12(16-20-22-23-21-16)8-11-14(25)10-7-9(24-3-5-26-6-4-24)1-2-13(10)27-17(11)19-15/h1-2,7-8H,3-6H2,(H2,18,19)(H,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o...				Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858
					More data for this Ligand-Target Pair

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