Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1' AND taxid = 9606   

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/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520150 (CHEMBL4566796) Show SMILES COCc1cc(ncn1)-c1ccc2nc(Nc3cc(ccn3)[C@@H](C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1 |r| Show InChI InChI=1S/C27H29F3N8O2/c1-17(37-7-9-38(10-8-37)25(39)14-27(28,29)30)18-5-6-31-24(12-18)36-26-34-21-4-3-19(11-23(21)35-26)22-13-20(15-40-2)32-16-33-22/h3-6,11-13,16-17H,7-10,14-15H2,1-2H3,(H2,31,34,35,36)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520165 (CHEMBL4454902) Show SMILES C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(OCC3CC3)ncn2)c1 |r| Show InChI InChI=1S/C29H31F3N8O2/c1-18(39-8-10-40(11-9-39)27(41)15-29(30,31)32)20-6-7-33-25(13-20)38-28-36-22-5-4-21(12-24(22)37-28)23-14-26(35-17-34-23)42-16-19-2-3-19/h4-7,12-14,17-19H,2-3,8-11,15-16H2,1H3,(H2,33,36,37,38)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520151 (CHEMBL4537673) Show SMILES C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N(C)C)c1 |r| Show InChI InChI=1S/C27H30F3N9O/c1-17(38-8-10-39(11-9-38)25(40)15-27(28,29)30)18-6-7-31-23(13-18)36-26-34-20-5-4-19(12-22(20)35-26)21-14-24(37(2)3)33-16-32-21/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H2,31,34,35,36)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520157 (CHEMBL4436188) Show SMILES C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CCC3)c2)c1 |r| Show InChI InChI=1S/C29H33F3N8O/c1-19(38-9-11-39(12-10-38)27(41)15-29(30,31)32)21-7-8-33-26(14-21)37-28-35-24-6-5-22(13-25(24)36-28)23-16-34-40(18-23)17-20-3-2-4-20/h5-8,13-14,16,18-20H,2-4,9-12,15,17H2,1H3,(H2,33,35,36,37)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520159 (CHEMBL4543618) Show SMILES CC(C)Oc1cncnc1-c1ccc2nc(Nc3cc(ccn3)[C@@H](C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1 |r| Show InChI InChI=1S/C28H31F3N8O2/c1-17(2)41-23-15-32-16-34-26(23)20-4-5-21-22(12-20)36-27(35-21)37-24-13-19(6-7-33-24)18(3)38-8-10-39(11-9-38)25(40)14-28(29,30)31/h4-7,12-13,15-18H,8-11,14H2,1-3H3,(H2,33,35,36,37)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520142 (CHEMBL4435393) Show SMILES C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC3)c2)c1 |r| Show InChI InChI=1S/C28H31F3N8O/c1-18(37-8-10-38(11-9-37)26(40)14-28(29,30)31)20-6-7-32-25(13-20)36-27-34-23-5-4-21(12-24(23)35-27)22-15-33-39(17-22)16-19-2-3-19/h4-7,12-13,15,17-19H,2-3,8-11,14,16H2,1H3,(H2,32,34,35,36)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520148 (CHEMBL4538751 | US10894784, Example 30.03.01.A) Show SMILES C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(C)ncn2)c1 |r| Show InChI InChI=1S/C26H27F3N8O/c1-16-11-21(32-15-31-16)19-3-4-20-22(12-19)34-25(33-20)35-23-13-18(5-6-30-23)17(2)36-7-9-37(10-8-36)24(38)14-26(27,28)29/h3-6,11-13,15,17H,7-10,14H2,1-2H3,(H2,30,33,34,35)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520158 (CHEMBL4453292 | US10894784, Example 143.02) Show SMILES CN(C)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C26H28F3N9O/c1-36(2)23-13-20(31-16-32-23)18-3-4-19-21(12-18)34-25(33-19)35-22-11-17(5-6-30-22)15-37-7-9-38(10-8-37)24(39)14-26(27,28)29/h3-6,11-13,16H,7-10,14-15H2,1-2H3,(H2,30,33,34,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520161 (CHEMBL4468020 | US10894784, Example 39.01.02) Show SMILES FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cnn(CC4CC4)c3)c2)CC1 Show InChI InChI=1S/C27H29F3N8O/c28-27(29,30)13-25(39)37-9-7-36(8-10-37)15-19-5-6-31-24(11-19)35-26-33-22-4-3-20(12-23(22)34-26)21-14-32-38(17-21)16-18-1-2-18/h3-6,11-12,14,17-18H,1-2,7-10,13,15-16H2,(H2,31,33,34,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	368	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520155 (CHEMBL4552254 | US10894784, Example 30.01.01) Show SMILES Cc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C25H25F3N8O/c1-16-10-20(31-15-30-16)18-2-3-19-21(12-18)33-24(32-19)34-22-11-17(4-5-29-22)14-35-6-8-36(9-7-35)23(37)13-25(26,27)28/h2-5,10-12,15H,6-9,13-14H2,1H3,(H2,29,32,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	773	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520160 (CHEMBL4515413 | US10894784, Example 01.03) Show SMILES Cc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C26H26F3N7O/c1-17-12-20(5-7-30-17)19-2-3-21-22(14-19)33-25(32-21)34-23-13-18(4-6-31-23)16-35-8-10-36(11-9-35)24(37)15-26(27,28)29/h2-7,12-14H,8-11,15-16H2,1H3,(H2,31,32,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520174 (CHEMBL4553949 | US10894784, Example 16.06.02.A) Show SMILES C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1 |r| Show InChI InChI=1S/C24H25F3N8O2/c1-14(34-7-9-35(10-8-34)21(36)13-24(25,26)27)16-5-6-28-20(12-16)32-23-30-18-4-3-17(11-19(18)31-23)22-29-15(2)33-37-22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,28,30,31,32)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520175 (CHEMBL4451595 | US10894784, Example 135.02) Show SMILES CN(C)c1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C27H29F3N8O/c1-36(2)24-15-20(6-8-32-24)19-3-4-21-22(14-19)34-26(33-21)35-23-13-18(5-7-31-23)17-37-9-11-38(12-10-37)25(39)16-27(28,29)30/h3-8,13-15H,9-12,16-17H2,1-2H3,(H2,31,33,34,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520162 (CHEMBL4453481 | US10894784, Example 38.02) Show SMILES CCn1cc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C25H27F3N8O/c1-2-36-16-19(14-30-36)18-3-4-20-21(12-18)32-24(31-20)33-22-11-17(5-6-29-22)15-34-7-9-35(10-8-34)23(37)13-25(26,27)28/h3-6,11-12,14,16H,2,7-10,13,15H2,1H3,(H2,29,31,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520147 (CHEMBL4436416 | US10894784, Example 37.01) Show SMILES Cn1cc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C24H25F3N8O/c1-33-15-18(13-29-33)17-2-3-19-20(11-17)31-23(30-19)32-21-10-16(4-5-28-21)14-34-6-8-35(9-7-34)22(36)12-24(25,26)27/h2-5,10-11,13,15H,6-9,12,14H2,1H3,(H2,28,30,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520152 (CHEMBL4594167 | US10894784, Example 150.02) Show SMILES CNc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C25H26F3N9O/c1-29-21-12-19(31-15-32-21)17-2-3-18-20(11-17)34-24(33-18)35-22-10-16(4-5-30-22)14-36-6-8-37(9-7-36)23(38)13-25(26,27)28/h2-5,10-12,15H,6-9,13-14H2,1H3,(H,29,31,32)(H2,30,33,34,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520145 (CHEMBL4459120) Show SMILES FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)C#N)c2)CC1 Show InChI InChI=1S/C21H20F3N7O/c22-21(23,24)11-19(32)31-7-5-30(6-8-31)13-15-3-4-26-18(10-15)29-20-27-16-2-1-14(12-25)9-17(16)28-20/h1-4,9-10H,5-8,11,13H2,(H2,26,27,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520143 (CHEMBL4455930) Show SMILES CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1 Show InChI InChI=1S/C24H25F3N8O2/c1-14(34-7-9-35(10-8-34)21(36)13-24(25,26)27)16-5-6-28-20(12-16)32-23-30-18-4-3-17(11-19(18)31-23)22-29-15(2)33-37-22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,28,30,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520168 (CHEMBL4549459 | US10894784, Example 16.01.02) Show SMILES Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C23H23F3N8O2/c1-14-28-21(36-32-14)16-2-3-17-18(11-16)30-22(29-17)31-19-10-15(4-5-27-19)13-33-6-8-34(9-7-33)20(35)12-23(24,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,27,29,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520156 (CHEMBL4577511 | US10894784, Example 16.06.02.B) Show SMILES C[C@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1 |r| Show InChI InChI=1S/C24H25F3N8O2/c1-14(34-7-9-35(10-8-34)21(36)13-24(25,26)27)16-5-6-28-20(12-16)32-23-30-18-4-3-17(11-19(18)31-23)22-29-15(2)33-37-22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,28,30,31,32)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520173 (CHEMBL4538591 | US10894784, Example 179.02) Show SMILES CN(C)c1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)CC(F)(F)F)ccn4)[nH]c3c2)c1Cl Show InChI InChI=1S/C26H27ClF3N9O/c1-37(2)24-22(27)23(32-15-33-24)17-3-4-18-19(12-17)35-25(34-18)36-20-11-16(5-6-31-20)14-38-7-9-39(10-8-38)21(40)13-26(28,29)30/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H2,31,34,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520166 (CHEMBL4587843) Show SMILES Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC(F)F)CC4)ccn3)[nH]c2c1 Show InChI InChI=1S/C22H24F2N8O/c1-14-26-21(33-30-14)16-2-3-17-18(11-16)28-22(27-17)29-20-10-15(4-5-25-20)12-31-6-8-32(9-7-31)13-19(23)24/h2-5,10-11,19H,6-9,12-13H2,1H3,(H2,25,27,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520153 (CHEMBL4566710) Show SMILES Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CCC(F)(F)F)CC4)ccn3)[nH]c2c1 Show InChI InChI=1S/C23H25F3N8O/c1-15-28-21(35-32-15)17-2-3-18-19(13-17)30-22(29-18)31-20-12-16(4-6-27-20)14-34-10-8-33(9-11-34)7-5-23(24,25)26/h2-4,6,12-13H,5,7-11,14H2,1H3,(H2,27,29,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520163 (CHEMBL4524534) Show SMILES Cc1noc(n1)-c1ccc2nc(Nc3cc(ccn3)C(=O)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1 Show InChI InChI=1S/C23H21F3N8O3/c1-13-28-20(37-32-13)14-2-3-16-17(10-14)30-22(29-16)31-18-11-15(4-5-27-18)21(36)34-8-6-33(7-9-34)19(35)12-23(24,25)26/h2-5,10-11H,6-9,12H2,1H3,(H2,27,29,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520176 (CHEMBL4438389) Show SMILES Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC(F)(F)F)CC4)ccn3)[nH]c2c1 Show InChI InChI=1S/C22H23F3N8O/c1-14-27-20(34-31-14)16-2-3-17-18(11-16)29-21(28-17)30-19-10-15(4-5-26-19)12-32-6-8-33(9-7-32)13-22(23,24)25/h2-5,10-11H,6-9,12-13H2,1H3,(H2,26,28,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520154 (CHEMBL4466150 | US10894784, Example 17.02) Show SMILES FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(no3)C3CC3)c2)CC1 Show InChI InChI=1S/C25H25F3N8O2/c26-25(27,28)13-21(37)36-9-7-35(8-10-36)14-15-5-6-29-20(11-15)32-24-30-18-4-3-17(12-19(18)31-24)23-33-22(34-38-23)16-1-2-16/h3-6,11-12,16H,1-2,7-10,13-14H2,(H2,29,30,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460 BindingDB Entry DOI: 10.7270/Q2CN7795
					More data for this Ligand-Target Pair