Compile Data Set for Download or QSAR

Found 108 hits Enz. Inhib. hit(s) with all data for entry = 50003304   

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
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))	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))	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))	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))	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))	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
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
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357905 (2-Amino-7-isobutyl-5-oxo-5H-chromeno[2,3-b]pyridin...) Show SMILES CC(C)Cc1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C17H16N2O4/c1-8(2)5-9-3-4-13-10(6-9)14(20)11-7-12(17(21)22)15(18)19-16(11)23-13/h3-4,6-8H,5H2,1-2H3,(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	550	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))	BDBM357905 (2-Amino-7-isobutyl-5-oxo-5H-chromeno[2,3-b]pyridin...) Show SMILES CC(C)Cc1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C17H16N2O4/c1-8(2)5-9-3-4-13-10(6-9)14(20)11-7-12(17(21)22)15(18)19-16(11)23-13/h3-4,6-8H,5H2,1-2H3,(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	550	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))	BDBM357899 (US10214536, Compound 117) Show SMILES CC(C)c1cc2c(cn1)oc1nc(N)c(cc1c2=O)C(O)=O Show InChI InChI=1S/C15H13N3O4/c1-6(2)10-4-7-11(5-17-10)22-14-8(12(7)19)3-9(15(20)21)13(16)18-14/h3-6H,1-2H3,(H2,16,18)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	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))	BDBM357899 (US10214536, Compound 117) Show SMILES CC(C)c1cc2c(cn1)oc1nc(N)c(cc1c2=O)C(O)=O Show InChI InChI=1S/C15H13N3O4/c1-6(2)10-4-7-11(5-17-10)22-14-8(12(7)19)3-9(15(20)21)13(16)18-14/h3-6H,1-2H3,(H2,16,18)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	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))	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)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	575	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))	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)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	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))	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	Article PubMed	n/a	n/a	750	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))	BDBM357895 (US10214536, Compound 78) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCC2(CC1)OCCO2 |t:22| Show InChI InChI=1S/C21H18N2O6/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/h1-3,9-10H,4-8H2,(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	750	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))	BDBM50469229 (CHEMBL4277887) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(=O)Nc1nn[nH]n1)N1CCOCC1 Show InChI InChI=1S/C18H16N8O4/c19-15-12(16(28)21-18-22-24-25-23-18)8-11-14(27)10-7-9(26-3-5-29-6-4-26)1-2-13(10)30-17(11)20-15/h1-2,7-8H,3-6H2,(H2,19,20)(H2,21,22,23,24,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	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))	BDBM50469233 (CHEMBL4292344) Show SMILES CC(=C)c1cc2c(cc1F)oc1nc(N)c(cc1c2=O)C(O)=O Show InChI InChI=1S/C16H11FN2O4/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/h3-5H,1H2,2H3,(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	790	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))	BDBM50469233 (CHEMBL4292344) Show SMILES CC(=C)c1cc2c(cc1F)oc1nc(N)c(cc1c2=O)C(O)=O Show InChI InChI=1S/C16H11FN2O4/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/h3-5H,1H2,2H3,(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	794	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))	BDBM357903 (2-Amino-7-isopentyl-5-oxo-5H-chromeno[2,3-b]pyridi...) Show SMILES CC(C)CCc1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C18H18N2O4/c1-9(2)3-4-10-5-6-14-11(7-10)15(21)12-8-13(18(22)23)16(19)20-17(12)24-14/h5-9H,3-4H2,1-2H3,(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	830	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))	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 Article PubMed	n/a	n/a	830	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				3D Structure (crystal)
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357903 (2-Amino-7-isopentyl-5-oxo-5H-chromeno[2,3-b]pyridi...) Show SMILES CC(C)CCc1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C18H18N2O4/c1-9(2)3-4-10-5-6-14-11(7-10)15(21)12-8-13(18(22)23)16(19)20-17(12)24-14/h5-9H,3-4H2,1-2H3,(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	830	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))	BDBM357857 (Aphthasol | US10214536, Amlexanox) Show SMILES CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	850	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				3D Structure (crystal)
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM357857 (Aphthasol | US10214536, Amlexanox) Show SMILES CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	851	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				3D Structure (crystal)
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	Article PubMed	n/a	n/a	860	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))	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	Article PubMed	n/a	n/a	860	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))	BDBM50469236 (CHEMBL4284757) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nn[nH]n1)C1CCCCC1 Show InChI InChI=1S/C19H18N6O2/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/h6-10H,1-5H2,(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	1.00E+3	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))	BDBM50469236 (CHEMBL4284757) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nn[nH]n1)C1CCCCC1 Show InChI InChI=1S/C19H18N6O2/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/h6-10H,1-5H2,(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	1.00E+3	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))	BDBM50469232 (CHEMBL4288939) Show SMILES CC(C)c1cccc2oc3nc(N)c(cc3c(=O)c12)C(O)=O Show InChI InChI=1S/C16H14N2O4/c1-7(2)8-4-3-5-11-12(8)13(19)9-6-10(16(20)21)14(17)18-15(9)22-11/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	1.10E+3	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))	BDBM50469232 (CHEMBL4288939) Show SMILES CC(C)c1cccc2oc3nc(N)c(cc3c(=O)c12)C(O)=O Show InChI InChI=1S/C16H14N2O4/c1-7(2)8-4-3-5-11-12(8)13(19)9-6-10(16(20)21)14(17)18-15(9)22-11/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	1.10E+3	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))	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)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	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))	BDBM50469229 (CHEMBL4277887) Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(=O)Nc1nn[nH]n1)N1CCOCC1 Show InChI InChI=1S/C18H16N8O4/c19-15-12(16(28)21-18-22-24-25-23-18)8-11-14(27)10-7-9(26-3-5-29-6-4-26)1-2-13(10)30-17(11)20-15/h1-2,7-8H,3-6H2,(H2,19,20)(H2,21,22,23,24,25,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	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))	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)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	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))	BDBM357932 (US10214536, Compound 299) Show SMILES CC(=C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C16H12N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-6H,1H2,2H3,(H2,17,18)(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.29E+3	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

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