Compile Data Set for Download or QSAR

Found 143 hits with Last Name = 'basu' and Initial = 'd'   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50383274 (CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Dortmund Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...				Bioorg Med Chem 23: 2767-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50383274 (CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Dortmund Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...				Bioorg Med Chem 23: 2767-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153732 (K252a) Show SMILES [H]C12C[C@@](O)(C(=O)OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |TLB:13:12:11:3.2,19:35:11:3.2,THB:4:3:11:12.33.35.34,32:33:11:3.2,26:34:11:3.2| Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153755 (ROCHE screening, 77) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@H](O)C3)c12)[N+]([O-])=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM10111 ((3Z)-5-fluoro-4-[2-(4-hydroxypiperidin-4-yl)ethyny...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#CC3(O)CCNCC3)c12 Show InChI InChI=1S/C21H20FN3O3/c1-28-18-5-9-24-17(18)12-14-19-13(4-6-21(27)7-10-23-11-8-21)15(22)2-3-16(19)25-20(14)26/h2-3,5,9,12,23-24,27H,7-8,10-11H2,1H3,(H,25,26)/b14-12-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50383274 (CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...				Bioorg Med Chem 23: 2767-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153745 (ROCHE screening, 59) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN\C(N)=N\[N+]([O-])=O)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H23N7O4/c1-30-13-17(15-7-2-4-9-19(15)30)21-22(24(34)28-23(21)33)18-14-31(20-10-5-3-8-16(18)20)12-6-11-27-25(26)29-32(35)36/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27,29)(H,28,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50084025 (CHEMBL3425661) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccncc3)\C#N)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H29ClN8O3/c1-39-12-14-40(15-13-39)24-6-7-27(28(18-24)42-2)37-31-35-20-26(32)30(38-31)43-25-5-3-4-23(17-25)36-29(41)22(19-33)16-21-8-10-34-11-9-21/h3-11,16-18,20H,12-15H2,1-2H3,(H,36,41)(H,35,37,38)/b22-16+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Dortmund Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...				Bioorg Med Chem 23: 2767-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153753 (ROCHE screening, 74) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@H](O)[C@H](N)[C@H](C)O)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM10095 ((3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methyli...) Show SMILES CNCC#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F Show InChI InChI=1S/C18H16FN3O2/c1-20-8-3-4-11-13(19)5-6-14-17(11)12(18(23)22-14)10-15-16(24-2)7-9-21-15/h5-7,9-10,20-21H,8H2,1-2H3,(H,22,23)/b12-10-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153731 ((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl...) Show SMILES CN1CCN(CC1)c1ccc2N\C(Nc2c1)=C1\C(=O)N=c2cccc(F)c2=C1N |c:30,t:22| Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11,24-25H,7-10,23H2,1H3/b20-18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153718 (N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C19H22N8O3/c1-13-11-17(24-23-13)20-16-12-18(26-9-7-25(2)8-10-26)22-19(21-16)30-15-5-3-14(4-6-15)27(28)29/h3-6,11-12H,7-10H2,1-2H3,(H2,20,21,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153736 (GSK screening, 33) Show SMILES CC(C)COC(=O)c1ccc2NC(=O)\C(=C/Nc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C20H21N3O5S/c1-12(2)11-28-20(25)13-3-8-18-16(9-13)17(19(24)23-18)10-22-14-4-6-15(7-5-14)29(21,26)27/h3-10,12,22H,11H2,1-2H3,(H,23,24)(H2,21,26,27)/b17-10-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50084027 (CHEMBL3425663) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3cnc[nH]3)\C#N)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C29H28ClN9O3/c1-38-8-10-39(11-9-38)22-6-7-25(26(14-22)41-2)36-29-33-17-24(30)28(37-29)42-23-5-3-4-20(13-23)35-27(40)19(15-31)12-21-16-32-18-34-21/h3-7,12-14,16-18H,8-11H2,1-2H3,(H,32,34)(H,35,40)(H,33,36,37)/b19-12+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Dortmund Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...				Bioorg Med Chem 23: 2767-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50084028 (CHEMBL3425664) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\C3CC3)\C#N)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C29H30ClN7O3/c1-36-10-12-37(13-11-36)22-8-9-25(26(16-22)39-2)34-29-32-18-24(30)28(35-29)40-23-5-3-4-21(15-23)33-27(38)20(17-31)14-19-6-7-19/h3-5,8-9,14-16,18-19H,6-7,10-13H2,1-2H3,(H,33,38)(H,32,34,35)/b20-14+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Dortmund Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...				Bioorg Med Chem 23: 2767-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50084015 (CHEMBL3425655) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(F)cc3)\C#N)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H29ClFN7O3/c1-40-12-14-41(15-13-40)25-10-11-28(29(18-25)43-2)38-32-36-20-27(33)31(39-32)44-26-5-3-4-24(17-26)37-30(42)22(19-35)16-21-6-8-23(34)9-7-21/h3-11,16-18,20H,12-15H2,1-2H3,(H,37,42)(H,36,38,39)/b22-16+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Dortmund Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...				Bioorg Med Chem 23: 2767-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50316192 (4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...) Show SMILES CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r| Show InChI InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50389967 (Aminopyrimidine (Scaffold VI) | CHEMBL1614709) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cc1C |c:24| Show InChI InChI=1S/C24H30FN7O/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)/t15-,16+,20+,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50084025 (CHEMBL3425661) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccncc3)\C#N)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H29ClN8O3/c1-39-12-14-40(15-13-39)24-6-7-27(28(18-24)42-2)37-31-35-20-26(32)30(38-31)43-25-5-3-4-23(17-25)36-29(41)22(19-33)16-21-8-10-34-11-9-21/h3-11,16-18,20H,12-15H2,1-2H3,(H,36,41)(H,35,37,38)/b22-16+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Dortmund Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...				Bioorg Med Chem 23: 2767-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50083641 (Aminopyrimidine (Scaffold II) | CHEMBL113185 | N*1...) Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(NCCN)nc2)cc(OC)c1OC Show InChI InChI=1S/C20H24N6O3/c1-27-16-10-14(11-17(28-2)19(16)29-3)25-20-23-8-6-15(26-20)13-4-5-18(24-12-13)22-9-7-21/h4-6,8,10-12H,7,9,21H2,1-3H3,(H,22,24)(H,23,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153742 (Oxindole (Scaffold V)) Show SMILES O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 Show InChI InChI=1S/C21H15N5O3S2/c27-21-15(19-16(25-21)8-9-17-20(19)30-12-24-17)11-23-13-4-6-14(7-5-13)31(28,29)26-18-3-1-2-10-22-18/h1-12,23H,(H,22,26)(H,25,27)/b15-11-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153735 (GSK screening, 32) Show SMILES NS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccc4ncsc4c23)cc1 Show InChI InChI=1S/C16H12N4O3S2/c17-25(22,23)10-3-1-9(2-4-10)18-7-11-14-12(20-16(11)21)5-6-13-15(14)24-8-19-13/h1-8,18H,(H,20,21)(H2,17,22,23)/b11-7-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50084036 (CHEMBL3425671) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(C)=O)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O3/c1-16(32)27-17-5-4-6-19(13-17)34-23-20(25)15-26-24(29-23)28-21-8-7-18(14-22(21)33-3)31-11-9-30(2)10-12-31/h4-8,13-15H,9-12H2,1-3H3,(H,27,32)(H,26,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Dortmund Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...				Bioorg Med Chem 23: 2767-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50293150 (CHEMBL468963 | D3RKN_26 | GSK screening, 38 | N-(4...) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F Show InChI InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	211	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50312994 (3-(1-methyl-1H-indol-3-yl)-4-(phenylamino)-1H-pyrr...) Show SMILES Cn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:4| Show InChI InChI=1S/C19H15N3O2/c1-22-11-14(13-9-5-6-10-15(13)22)16-17(19(24)21-18(16)23)20-12-7-3-2-4-8-12/h2-11H,1H3,(H2,20,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	231	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153737 (GSK screening, 34) Show SMILES CC(C)(CO)CNC(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C20H23N5O5S/c1-20(2,11-26)10-22-18(27)12-3-8-16-15(9-12)17(19(28)23-16)25-24-13-4-6-14(7-5-13)31(21,29)30/h3-9,24,26H,10-11H2,1-2H3,(H,22,27)(H2,21,29,30)(H,23,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM3164 (3-[1-(3-Hydroxypropyl)-3-indolyl]-4-(1-methyl-3-in...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C24H21N3O3/c1-26-13-17(15-7-2-4-9-19(15)26)21-22(24(30)25-23(21)29)18-14-27(11-6-12-28)20-10-5-3-8-16(18)20/h2-5,7-10,13-14,28H,6,11-12H2,1H3,(H,25,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50085411 (3-[1-(3,5-Dichloro-4-hydroxy-phenyl)-meth-(Z)-ylid...) Show SMILES Oc1c(Cl)cc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)c2ccco2)cc1Cl Show InChI InChI=1S/C20H11Cl2NO4/c21-14-7-10(8-15(22)19(14)25)6-13-12-9-11(3-4-16(12)23-20(13)26)18(24)17-2-1-5-27-17/h1-9,25H,(H,23,26)/b13-6-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153725 (N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C20H22F3N7O/c1-13-11-17(28-27-13)24-16-12-18(30-9-7-29(2)8-10-30)26-19(25-16)31-15-5-3-14(4-6-15)20(21,22)23/h3-6,11-12H,7-10H2,1-2H3,(H2,24,25,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50084026 (CHEMBL3425662) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccco3)\C#N)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C30H28ClN7O4/c1-37-10-12-38(13-11-37)22-8-9-26(27(17-22)40-2)35-30-33-19-25(31)29(36-30)42-24-6-3-5-21(16-24)34-28(39)20(18-32)15-23-7-4-14-41-23/h3-9,14-17,19H,10-13H2,1-2H3,(H,34,39)(H,33,35,36)/b20-15+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Dortmund Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...				Bioorg Med Chem 23: 2767-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153720 (2-(4-Isopropylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl...) Show SMILES CC(C)c1ccc(Oc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C22H29N7O/c1-15(2)17-5-7-18(8-6-17)30-22-24-19(23-20-13-16(3)26-27-20)14-21(25-22)29-11-9-28(4)10-12-29/h5-8,13-15H,9-12H2,1-4H3,(H2,23,24,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50084027 (CHEMBL3425663) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3cnc[nH]3)\C#N)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C29H28ClN9O3/c1-38-8-10-39(11-9-38)22-6-7-25(26(14-22)41-2)36-29-33-17-24(30)28(37-29)42-23-5-3-4-20(13-23)35-27(40)19(15-31)12-21-16-32-18-34-21/h3-7,12-14,16-18H,8-11H2,1-2H3,(H,32,34)(H,35,40)(H,33,36,37)/b19-12+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Dortmund Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...				Bioorg Med Chem 23: 2767-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50084028 (CHEMBL3425664) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\C3CC3)\C#N)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C29H30ClN7O3/c1-36-10-12-37(13-11-36)22-8-9-25(26(16-22)39-2)34-29-32-18-24(30)28(35-29)40-23-5-3-4-21(15-23)33-27(38)20(17-31)14-19-6-7-19/h3-5,8-9,14-16,18-19H,6-7,10-13H2,1-2H3,(H,33,38)(H,32,34,35)/b20-14+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Dortmund Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...				Bioorg Med Chem 23: 2767-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM3177 (Bisindolylmaleimide 11d | ROCHE screening, 58 | [(...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C27H27N5O2S/c1-31-15-19(17-9-3-5-11-21(17)31)23-24(26(34)30-25(23)33)20-16-32(22-12-6-4-10-18(20)22)13-7-2-8-14-35-27(28)29/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3,(H3,28,29)(H,30,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	376	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153721 (N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(C)cc2)n1 Show InChI InChI=1S/C20H25N7O/c1-14-4-6-16(7-5-14)28-20-22-17(21-18-12-15(2)24-25-18)13-19(23-20)27-10-8-26(3)9-11-27/h4-7,12-13H,8-11H2,1-3H3,(H2,21,22,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50084030 (CHEMBL3425666) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\C(C)(C)C)\C#N)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C30H34ClN7O3/c1-30(2,3)17-20(18-32)27(39)34-21-7-6-8-23(15-21)41-28-24(31)19-33-29(36-28)35-25-10-9-22(16-26(25)40-5)38-13-11-37(4)12-14-38/h6-10,15-17,19H,11-14H2,1-5H3,(H,34,39)(H,33,35,36)/b20-17+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Dortmund Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...				Bioorg Med Chem 23: 2767-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153749 (ROCHE screening, 67) Show SMILES Fc1ccc(CCNC2=NC(=O)\C(S2)=C\c2ccc3ncccc3c2)cc1 |t:8| Show InChI InChI=1S/C21H16FN3OS/c22-17-6-3-14(4-7-17)9-11-24-21-25-20(26)19(27-21)13-15-5-8-18-16(12-15)2-1-10-23-18/h1-8,10,12-13H,9,11H2,(H,24,25,26)/b19-13-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	402	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50365216 (CHEMBL1956070 | ROCHE screening, 76) Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C23H25N5O3S/c1-27-8-10-28(11-9-27)17-5-3-16(4-6-17)25-23-26-22(24)21(32-23)20(29)15-2-7-18-19(14-15)31-13-12-30-18/h2-7,14H,8-13,24H2,1H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153744 (ROCHE screening, 55) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCNC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H24N6O2/c1-30-13-17(15-7-2-4-9-19(15)30)21-22(24(33)29-23(21)32)18-14-31(12-6-11-28-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H4,26,27,28)(H,29,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	461	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM3166 (3-[1-(5-hydroxypentyl)-1H-indol-3-yl]-4-(1-methyl-...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCCO)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C26H25N3O3/c1-28-15-19(17-9-3-5-11-21(17)28)23-24(26(32)27-25(23)31)20-16-29(13-7-2-8-14-30)22-12-6-4-10-18(20)22/h3-6,9-12,15-16,30H,2,7-8,13-14H2,1H3,(H,27,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	469	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM25117 (AG-013736 | AXITINIB | N-methyl-2-({3-[(E)-2-(pyri...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1 Show InChI InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50084036 (CHEMBL3425671) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(C)=O)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O3/c1-16(32)27-17-5-4-6-19(13-17)34-23-20(25)15-26-24(29-23)28-21-8-7-18(14-22(21)33-3)31-11-9-30(2)10-12-31/h4-8,13-15H,9-12H2,1-3H3,(H,27,32)(H,26,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Dortmund Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...				Bioorg Med Chem 23: 2767-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153750 (ROCHE screening, 68) Show SMILES Clc1cccc(CCNC2=NC(=O)\C(S2)=C\c2ccc3ncccc3c2)c1 |t:9| Show InChI InChI=1S/C21H16ClN3OS/c22-17-5-1-3-14(12-17)8-10-24-21-25-20(26)19(27-21)13-15-6-7-18-16(11-15)4-2-9-23-18/h1-7,9,11-13H,8,10H2,(H,24,25,26)/b19-13-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	505	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50084020 (CHEMBL3425656) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(SC)cc3)\C#N)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C33H32ClN7O3S/c1-40-13-15-41(16-14-40)25-9-12-29(30(19-25)43-2)38-33-36-21-28(34)32(39-33)44-26-6-4-5-24(18-26)37-31(42)23(20-35)17-22-7-10-27(45-3)11-8-22/h4-12,17-19,21H,13-16H2,1-3H3,(H,37,42)(H,36,38,39)/b23-17+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Dortmund Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...				Bioorg Med Chem 23: 2767-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM10100 ((3Z)-5-fluoro-4-[(3S)-4-hydroxy-3-(methylamino)but...) Show SMILES CN[C@H](CO)C#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F |r| Show InChI InChI=1S/C19H18FN3O3/c1-21-11(10-24)3-4-12-14(20)5-6-15-18(12)13(19(25)23-15)9-16-17(26-2)7-8-22-16/h5-9,11,21-22,24H,10H2,1-2H3,(H,23,25)/b13-9-/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	526	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153738 (GSK screening, 35) Show SMILES Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2cccc(c2)[N+]([O-])=O)cc1Cl |t:7| Show InChI InChI=1S/C16H9Cl2N3O5/c17-10-5-8(6-11(18)14(10)22)19-13-12(15(23)20-16(13)24)7-2-1-3-9(4-7)21(25)26/h1-6,22H,(H2,19,20,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	532	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50084015 (CHEMBL3425655) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(F)cc3)\C#N)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H29ClFN7O3/c1-40-12-14-41(15-13-40)25-10-11-28(29(18-25)43-2)38-32-36-20-27(33)31(39-32)44-26-5-3-4-24(17-26)37-30(42)22(19-35)16-21-6-8-23(34)9-7-21/h3-11,16-18,20H,12-15H2,1-2H3,(H,37,42)(H,36,38,39)/b22-16+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Dortmund Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...				Bioorg Med Chem 23: 2767-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM2591 ((Arylindolyl)maleimide deriv. 13 | 3,4-bis(1-methy...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C22H17N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-20(22(27)23-21(19)26)16-12-25(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3,(H,23,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	558	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM153751 (ROCHE screening, 69) Show SMILES Fc1ccccc1CCNC1=NC(=O)\C(S1)=C\c1ccc2ncccc2c1 |t:11| Show InChI InChI=1S/C21H16FN3OS/c22-17-6-2-1-4-15(17)9-11-24-21-25-20(26)19(27-21)13-14-7-8-18-16(12-14)5-3-10-23-18/h1-8,10,12-13H,9,11H2,(H,24,25,26)/b19-13-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	598	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair

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