Compile Data Set for Download or QSAR

Found 105 hits Enz. Inhib. hit(s) with all data for entry = 50043955   

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))	BDBM50379357 (CHEMBL2011933) Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1 Show InChI InChI=1S/C21H24BrN5O2/c1-29-15-8-6-13(7-9-15)19-26-18-17(16(22)12-25-20(18)27-19)23-10-3-11-24-21(28)14-4-2-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,24,28)(H2,23,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50379357 (CHEMBL2011933) Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1 Show InChI InChI=1S/C21H24BrN5O2/c1-29-15-8-6-13(7-9-15)19-26-18-17(16(22)12-25-20(18)27-19)23-10-3-11-24-21(28)14-4-2-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,24,28)(H2,23,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448992 (CHEMBL3125721) Show SMILES COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(N)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C26H29N7O3S/c1-36-17-9-7-15(8-10-17)23-32-21-20(28-11-4-12-29-25(35)16-5-2-3-6-16)18(13-30-24(21)33-23)26-31-19(14-37-26)22(27)34/h7-10,13-14,16H,2-6,11-12H2,1H3,(H2,27,34)(H,29,35)(H2,28,30,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50379337 (CHEMBL2011936) Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C22H26BrN5O2/c1-30-16-9-7-14(8-10-16)20-27-19-18(17(23)13-26-21(19)28-20)24-11-4-12-25-22(29)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,25,29)(H2,24,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448992 (CHEMBL3125721) Show SMILES COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(N)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C26H29N7O3S/c1-36-17-9-7-15(8-10-17)23-32-21-20(28-11-4-12-29-25(35)16-5-2-3-6-16)18(13-30-24(21)33-23)26-31-19(14-37-26)22(27)34/h7-10,13-14,16H,2-6,11-12H2,1H3,(H2,27,34)(H,29,35)(H2,28,30,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50379337 (CHEMBL2011936) Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C22H26BrN5O2/c1-30-16-9-7-14(8-10-16)20-27-19-18(17(23)13-26-21(19)28-20)24-11-4-12-25-22(29)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,25,29)(H2,24,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50379357 (CHEMBL2011933) Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1 Show InChI InChI=1S/C21H24BrN5O2/c1-29-15-8-6-13(7-9-15)19-26-18-17(16(22)12-25-20(18)27-19)23-10-3-11-24-21(28)14-4-2-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,24,28)(H2,23,25,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IKK-epsilon (unknown origin) using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448981 (CHEMBL3125726) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)(C)C Show InChI InChI=1S/C23H24N4O2S/c1-23(2,3)13-25-22(28)19-10-16(12-30-19)15-9-18-21(24-11-15)27-20(26-18)14-5-7-17(29-4)8-6-14/h5-12H,13H2,1-4H3,(H,25,28)(H,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448993 (CHEMBL3125732) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(N)=O Show InChI InChI=1S/C18H14N4O2S/c1-24-13-4-2-10(3-5-13)17-21-14-6-11(8-20-18(14)22-17)12-7-15(16(19)23)25-9-12/h2-9H,1H3,(H2,19,23)(H,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448988 (CHEMBL3125722) Show SMILES COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(O)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C26H28N6O4S/c1-36-17-9-7-15(8-10-17)22-31-21-20(27-11-4-12-28-24(33)16-5-2-3-6-16)18(13-29-23(21)32-22)25-30-19(14-37-25)26(34)35/h7-10,13-14,16H,2-6,11-12H2,1H3,(H,28,33)(H,34,35)(H2,27,29,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448984 (CHEMBL3125727) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)C Show InChI InChI=1S/C22H22N4O2S/c1-13(2)10-24-22(27)19-9-16(12-29-19)15-8-18-21(23-11-15)26-20(25-18)14-4-6-17(28-3)7-5-14/h4-9,11-13H,10H2,1-3H3,(H,24,27)(H,23,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379357 (CHEMBL2011933) Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1 Show InChI InChI=1S/C21H24BrN5O2/c1-29-15-8-6-13(7-9-15)19-26-18-17(16(22)12-25-20(18)27-19)23-10-3-11-24-21(28)14-4-2-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,24,28)(H2,23,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of aurora B (unknown origin)				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50448992 (CHEMBL3125721) Show SMILES COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(N)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C26H29N7O3S/c1-36-17-9-7-15(8-10-17)23-32-21-20(28-11-4-12-29-25(35)16-5-2-3-6-16)18(13-30-24(21)33-23)26-31-19(14-37-26)22(27)34/h7-10,13-14,16H,2-6,11-12H2,1H3,(H2,27,34)(H,29,35)(H2,28,30,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IKK-epsilon (unknown origin) using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448978 (CHEMBL3125723) Show SMILES COc1ccc(cc1)-c1nc2ncc(C(N)=S)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C23H28N6O2S/c1-31-16-9-7-14(8-10-16)21-28-19-18(17(20(24)32)13-27-22(19)29-21)25-11-4-12-26-23(30)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H2,24,32)(H,26,30)(H2,25,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448973 (CHEMBL3125741) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(O)=O Show InChI InChI=1S/C18H13N3O3S/c1-24-13-4-2-10(3-5-13)16-20-14-6-11(8-19-17(14)21-16)12-7-15(18(22)23)25-9-12/h2-9H,1H3,(H,22,23)(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM27452 (5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(2-me...) Show SMILES COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC Show InChI InChI=1S/C22H19N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50379337 (CHEMBL2011936) Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C22H26BrN5O2/c1-30-16-9-7-14(8-10-16)20-27-19-18(17(23)13-26-21(19)28-20)24-11-4-12-25-22(29)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,25,29)(H2,24,26,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IKK-epsilon (unknown origin) using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448984 (CHEMBL3125727) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)C Show InChI InChI=1S/C22H22N4O2S/c1-13(2)10-24-22(27)19-9-16(12-29-19)15-8-18-21(23-11-15)26-20(25-18)14-4-6-17(28-3)7-5-14/h4-9,11-13H,10H2,1-3H3,(H,24,27)(H,23,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448982 (CHEMBL3125728) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCCC(C)C Show InChI InChI=1S/C23H24N4O2S/c1-14(2)8-9-24-23(28)20-11-17(13-30-20)16-10-19-22(25-12-16)27-21(26-19)15-4-6-18(29-3)7-5-15/h4-7,10-14H,8-9H2,1-3H3,(H,24,28)(H,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448981 (CHEMBL3125726) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)(C)C Show InChI InChI=1S/C23H24N4O2S/c1-23(2,3)13-25-22(28)19-10-16(12-30-19)15-9-18-21(24-11-15)27-20(26-18)14-5-7-17(29-4)8-6-14/h5-12H,13H2,1-4H3,(H,25,28)(H,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448985 (CHEMBL3125729) Show SMILES CCC(C)CNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1 Show InChI InChI=1S/C23H24N4O2S/c1-4-14(2)11-25-23(28)20-10-17(13-30-20)16-9-19-22(24-12-16)27-21(26-19)15-5-7-18(29-3)8-6-15/h5-10,12-14H,4,11H2,1-3H3,(H,25,28)(H,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM27452 (5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(2-me...) Show SMILES COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC Show InChI InChI=1S/C22H19N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379337 (CHEMBL2011936) Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C22H26BrN5O2/c1-30-16-9-7-14(8-10-16)20-27-19-18(17(23)13-26-21(19)28-20)24-11-4-12-25-22(29)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,25,29)(H2,24,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of aurora B (unknown origin)				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448987 (CHEMBL3125731) Show SMILES COCCNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1 Show InChI InChI=1S/C21H20N4O3S/c1-27-8-7-22-21(26)18-10-15(12-29-18)14-9-17-20(23-11-14)25-19(24-17)13-3-5-16(28-2)6-4-13/h3-6,9-12H,7-8H2,1-2H3,(H,22,26)(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448986 (CHEMBL3125730) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C23H24N4O3S/c1-23(2,13-28)12-25-22(29)19-9-16(11-31-19)15-8-18-21(24-10-15)27-20(26-18)14-4-6-17(30-3)7-5-14/h4-11,28H,12-13H2,1-3H3,(H,25,29)(H,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50448973 (CHEMBL3125741) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(O)=O Show InChI InChI=1S/C18H13N3O3S/c1-24-13-4-2-10(3-5-13)16-20-14-6-11(8-19-17(14)21-16)12-7-15(18(22)23)25-9-12/h2-9H,1H3,(H,22,23)(H,19,20,21)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IKK-epsilon (unknown origin) using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448977 (CHEMBL3125720) Show SMILES COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(=O)NCC(C)C)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C30H37N7O3S/c1-18(2)15-34-29(39)23-17-41-30(35-23)22-16-33-27-25(36-26(37-27)19-9-11-21(40-3)12-10-19)24(22)31-13-6-14-32-28(38)20-7-4-5-8-20/h9-12,16-18,20H,4-8,13-15H2,1-3H3,(H,32,38)(H,34,39)(H2,31,33,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448975 (CHEMBL3125739) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1cc(cs1)C(O)=O Show InChI InChI=1S/C18H13N3O3S/c1-24-13-4-2-10(3-5-13)16-20-14-6-11(8-19-17(14)21-16)15-7-12(9-25-15)18(22)23/h2-9H,1H3,(H,22,23)(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448986 (CHEMBL3125730) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C23H24N4O3S/c1-23(2,13-28)12-25-22(29)19-9-16(11-31-19)15-8-18-21(24-10-15)27-20(26-18)14-4-6-17(30-3)7-5-14/h4-11,28H,12-13H2,1-3H3,(H,25,29)(H,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448982 (CHEMBL3125728) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCCC(C)C Show InChI InChI=1S/C23H24N4O2S/c1-14(2)8-9-24-23(28)20-11-17(13-30-20)16-10-19-22(25-12-16)27-21(26-19)15-4-6-18(29-3)7-5-15/h4-7,10-14H,8-9H2,1-3H3,(H,24,28)(H,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50448980 (CHEMBL3125725) Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(OCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C22H25BrN4O3/c1-29-16-9-7-14(8-10-16)20-26-18-19(17(23)13-25-21(18)27-20)30-12-4-11-24-22(28)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,24,28)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of aurora B (unknown origin)				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50448988 (CHEMBL3125722) Show SMILES COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(O)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C26H28N6O4S/c1-36-17-9-7-15(8-10-17)22-31-21-20(27-11-4-12-28-24(33)16-5-2-3-6-16)18(13-29-23(21)32-22)25-30-19(14-37-25)26(34)35/h7-10,13-14,16H,2-6,11-12H2,1H3,(H,28,33)(H,34,35)(H2,27,29,31,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IKK-epsilon (unknown origin) using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448978 (CHEMBL3125723) Show SMILES COc1ccc(cc1)-c1nc2ncc(C(N)=S)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C23H28N6O2S/c1-31-16-9-7-14(8-10-16)21-28-19-18(17(20(24)32)13-27-22(19)29-21)25-11-4-12-26-23(30)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H2,24,32)(H,26,30)(H2,25,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448987 (CHEMBL3125731) Show SMILES COCCNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1 Show InChI InChI=1S/C21H20N4O3S/c1-27-8-7-22-21(26)18-10-15(12-29-18)14-9-17-20(23-11-14)25-19(24-17)13-3-5-16(28-2)6-4-13/h3-6,9-12H,7-8H2,1-2H3,(H,22,26)(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448995 (CHEMBL3125733) Show SMILES CNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1 Show InChI InChI=1S/C19H16N4O2S/c1-20-19(24)16-8-13(10-26-16)12-7-15-18(21-9-12)23-17(22-15)11-3-5-14(25-2)6-4-11/h3-10H,1-2H3,(H,20,24)(H,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50448993 (CHEMBL3125732) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(N)=O Show InChI InChI=1S/C18H14N4O2S/c1-24-13-4-2-10(3-5-13)17-21-14-6-11(8-20-18(14)22-17)12-7-15(16(19)23)25-9-12/h2-9H,1H3,(H2,19,23)(H,20,21,22)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IKK-epsilon (unknown origin) using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448985 (CHEMBL3125729) Show SMILES CCC(C)CNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1 Show InChI InChI=1S/C23H24N4O2S/c1-4-14(2)11-25-23(28)20-10-17(13-30-20)16-9-19-22(24-12-16)27-21(26-19)15-5-7-18(29-3)8-6-15/h5-10,12-14H,4,11H2,1-3H3,(H,25,28)(H,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448976 (CHEMBL3125738) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1ccc(s1)C(O)=O Show InChI InChI=1S/C18H13N3O3S/c1-24-12-4-2-10(3-5-12)16-20-13-8-11(9-19-17(13)21-16)14-6-7-15(25-14)18(22)23/h2-9H,1H3,(H,22,23)(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448993 (CHEMBL3125732) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(N)=O Show InChI InChI=1S/C18H14N4O2S/c1-24-13-4-2-10(3-5-13)17-21-14-6-11(8-20-18(14)22-17)12-7-15(16(19)23)25-9-12/h2-9H,1H3,(H2,19,23)(H,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	268	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50448984 (CHEMBL3125727) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)C Show InChI InChI=1S/C22H22N4O2S/c1-13(2)10-24-22(27)19-9-16(12-29-19)15-8-18-21(23-11-15)26-20(25-18)14-4-6-17(28-3)7-5-14/h4-9,11-13H,10H2,1-3H3,(H,24,27)(H,23,25,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	273	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IKK-epsilon (unknown origin) using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50448992 (CHEMBL3125721) Show SMILES COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(N)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C26H29N7O3S/c1-36-17-9-7-15(8-10-17)23-32-21-20(28-11-4-12-29-25(35)16-5-2-3-6-16)18(13-30-24(21)33-23)26-31-19(14-37-26)22(27)34/h7-10,13-14,16H,2-6,11-12H2,1H3,(H2,27,34)(H,29,35)(H2,28,30,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	284	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of aurora B (unknown origin)				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50448988 (CHEMBL3125722) Show SMILES COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(O)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C26H28N6O4S/c1-36-17-9-7-15(8-10-17)22-31-21-20(27-11-4-12-28-24(33)16-5-2-3-6-16)18(13-29-23(21)32-22)25-30-19(14-37-25)26(34)35/h7-10,13-14,16H,2-6,11-12H2,1H3,(H,28,33)(H,34,35)(H2,27,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	299	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of aurora B (unknown origin)				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50448986 (CHEMBL3125730) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C23H24N4O3S/c1-23(2,13-28)12-25-22(29)19-9-16(11-31-19)15-8-18-21(24-10-15)27-20(26-18)14-4-6-17(30-3)7-5-14/h4-11,28H,12-13H2,1-3H3,(H,25,29)(H,24,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IKK-epsilon (unknown origin) using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448977 (CHEMBL3125720) Show SMILES COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(=O)NCC(C)C)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C30H37N7O3S/c1-18(2)15-34-29(39)23-17-41-30(35-23)22-16-33-27-25(36-26(37-27)19-9-11-21(40-3)12-10-19)24(22)31-13-6-14-32-28(38)20-7-4-5-8-20/h9-12,16-18,20H,4-8,13-15H2,1-3H3,(H,32,38)(H,34,39)(H2,31,33,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	388	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50448975 (CHEMBL3125739) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1cc(cs1)C(O)=O Show InChI InChI=1S/C18H13N3O3S/c1-24-13-4-2-10(3-5-13)16-20-14-6-11(8-19-17(14)21-16)15-7-12(9-25-15)18(22)23/h2-9H,1H3,(H,22,23)(H,19,20,21)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	395	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IKK-epsilon (unknown origin) using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50448987 (CHEMBL3125731) Show SMILES COCCNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1 Show InChI InChI=1S/C21H20N4O3S/c1-27-8-7-22-21(26)18-10-15(12-29-18)14-9-17-20(23-11-14)25-19(24-17)13-3-5-16(28-2)6-4-13/h3-6,9-12H,7-8H2,1-2H3,(H,22,26)(H,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	412	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IKK-epsilon (unknown origin) using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50448978 (CHEMBL3125723) Show SMILES COc1ccc(cc1)-c1nc2ncc(C(N)=S)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C23H28N6O2S/c1-31-16-9-7-14(8-10-16)21-28-19-18(17(20(24)32)13-27-22(19)29-21)25-11-4-12-26-23(30)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H2,24,32)(H,26,30)(H2,25,27,28,29)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	448	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IKK-epsilon (unknown origin) using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448979 (CHEMBL3125724) Show SMILES COc1ccc(cc1)-c1nc2ncc(-c3csc(c3)C(O)=O)c(OCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C27H28N4O5S/c1-35-19-9-7-16(8-10-19)24-30-22-23(36-12-4-11-28-26(32)17-5-2-3-6-17)20(14-29-25(22)31-24)18-13-21(27(33)34)37-15-18/h7-10,13-15,17H,2-6,11-12H2,1H3,(H,28,32)(H,33,34)(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM27452 (5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(2-me...) Show SMILES COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC Show InChI InChI=1S/C22H19N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,12H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	469	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IKK-epsilon (unknown origin) using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50448981 (CHEMBL3125726) Show SMILES COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)(C)C Show InChI InChI=1S/C23H24N4O2S/c1-23(2,3)13-25-22(28)19-10-16(12-30-19)15-9-18-21(24-11-15)27-20(26-18)14-5-7-17(29-4)8-6-14/h5-12H,13H2,1-4H3,(H,25,28)(H,24,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	497	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IKK-epsilon (unknown origin) using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair

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