Compile Data Set for Download or QSAR

Found 630 hits with Last Name = 'crosby' and Initial = 'r'   

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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26477 (5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylph...) Show SMILES COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC Show InChI InChI=1S/C17H17N3O3/c1-10-4-5-11(6-14(10)21)20-17-12-7-15(22-2)16(23-3)8-13(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26467 (3-({4-[methyl(3-methyl-1H-indazol-6-yl)amino]pyrim...) Show SMILES CN(c1ccc2c(C)n[nH]c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C19H19N7O2S/c1-12-16-7-6-14(11-17(16)25-24-12)26(2)18-8-9-21-19(23-18)22-13-4-3-5-15(10-13)29(20,27)28/h3-11H,1-2H3,(H,24,25)(H2,20,27,28)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26478 (6,7-dimethoxy-N-(3-methyl-1H-indazol-6-yl)quinazol...) Show SMILES COc1cc2ncnc(Nc3ccc4c(C)n[nH]c4c3)c2cc1OC Show InChI InChI=1S/C18H17N5O2/c1-10-12-5-4-11(6-15(12)23-22-10)21-18-13-7-16(24-2)17(25-3)8-14(13)19-9-20-18/h4-9H,1-3H3,(H,22,23)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26470 (3-({4-[(2-benzyl-3-methyl-2H-indazol-6-yl)(methyl)...) Show SMILES CN(c1ccc2c(C)n(Cc3ccccc3)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C26H25N7O2S/c1-18-23-12-11-21(16-24(23)31-33(18)17-19-7-4-3-5-8-19)32(2)25-13-14-28-26(30-25)29-20-9-6-10-22(15-20)36(27,34)35/h3-16H,17H2,1-2H3,(H2,27,34,35)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26469 (3-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...) Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C20H21N7O2S/c1-13-17-8-7-15(12-18(17)25-27(13)3)26(2)19-9-10-22-20(24-19)23-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26479 (4-N-(3-methyl-1H-indazol-6-yl)-2-N-(3,4,5-trimetho...) Show SMILES COc1cc(Nc2nccc(Nc3ccc4c(C)n[nH]c4c3)n2)cc(OC)c1OC Show InChI InChI=1S/C21H22N6O3/c1-12-15-6-5-13(9-16(15)27-26-12)23-19-7-8-22-21(25-19)24-14-10-17(28-2)20(30-4)18(11-14)29-3/h5-11H,1-4H3,(H,26,27)(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26476 (5-({2-[(3-bromophenyl)amino]pyrimidin-4-yl}amino)-...) Show SMILES Cc1ccc(Nc2ccnc(Nc3cccc(Br)c3)n2)cc1O Show InChI InChI=1S/C17H15BrN4O/c1-11-5-6-14(10-15(11)23)20-16-7-8-19-17(22-16)21-13-4-2-3-12(18)9-13/h2-10,23H,1H3,(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26471 (3-({4-[methyl(2-methyl-2H-indazol-6-yl)amino]pyrim...) Show SMILES CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C19H19N7O2S/c1-25-12-13-6-7-15(11-17(13)24-25)26(2)18-8-9-21-19(23-18)22-14-4-3-5-16(10-14)29(20,27)28/h3-12H,1-2H3,(H2,20,27,28)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246087 (US9433622, DMX- 153) Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1F |r| Show InChI InChI=1S/C24H23F2N7O/c25-16-7-8-33(15-16)22-6-5-20(30-21(22)13-27)23-19(26)14-28-24(31-23)29-17-1-3-18(4-2-17)32-9-11-34-12-10-32/h1-6,14,16H,7-12,15H2,(H,28,29,31)/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246094 (US9433622, DMX- 156) Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(CN3CCNC(=O)C3)nc2)n1 |r| Show InChI InChI=1S/C24H24FN9O/c25-16-6-9-34(13-16)22-4-3-19(31-21(22)11-26)20-5-7-28-24(32-20)30-17-1-2-18(29-12-17)14-33-10-8-27-23(35)15-33/h1-5,7,12,16H,6,8-10,13-15H2,(H,27,35)(H,28,30,32)/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM245933 (US9433622, DMX- 5) Show SMILES N#Cc1cc(cnc1N1CCCC1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C24H25N7O/c25-16-18-15-19(17-27-23(18)31-9-1-2-10-31)22-7-8-26-24(29-22)28-20-3-5-21(6-4-20)30-11-13-32-14-12-30/h3-8,15,17H,1-2,9-14H2,(H,26,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246005 (US9433622, DMX- 102) Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCNC(=O)C3)nc2)n1 |r| Show InChI InChI=1S/C24H24FN9O/c25-18-4-7-34(13-18)23-16(10-26)9-17(11-30-23)21-3-5-28-24(32-21)31-19-1-2-20(29-12-19)14-33-8-6-27-22(35)15-33/h1-3,5,9,11-12,18H,4,6-8,13-15H2,(H,27,35)(H,28,31,32)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246032 (US9433622, DMX- 37) Show SMILES NC(=O)c1ccc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cc1 Show InChI InChI=1S/C21H19N7O/c22-12-15-11-16(13-25-20(15)28-9-1-2-10-28)18-7-8-24-21(27-18)26-17-5-3-14(4-6-17)19(23)29/h3-8,11,13H,1-2,9-10H2,(H2,23,29)(H,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246039 (US9433622, DMX- 44) Show SMILES Cn1cc(Nc2nccc(n2)-c2cnc(N3C4CCC3CC(O)C4)c(c2)C#N)cn1 |THB:22:21:15:17.18| Show InChI InChI=1S/C21H22N8O/c1-28-12-15(11-25-28)26-21-23-5-4-19(27-21)14-6-13(9-22)20(24-10-14)29-16-2-3-17(29)8-18(30)7-16/h4-6,10-12,16-18,30H,2-3,7-8H2,1H3,(H,23,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246015 (US9433622, DMX- 111) Show SMILES F[C@@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccnc(NC(=O)CN3CCOCC3)c2)n1 |r| Show InChI InChI=1S/C25H26FN9O2/c26-19-3-6-35(15-19)24-17(13-27)11-18(14-30-24)21-2-5-29-25(32-21)31-20-1-4-28-22(12-20)33-23(36)16-34-7-9-37-10-8-34/h1-2,4-5,11-12,14,19H,3,6-10,15-16H2,(H2,28,29,31,32,33,36)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246029 (US9433622, DMX- 126) Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc3CNCc3c2)n1 |r| Show InChI InChI=1S/C22H20FN7/c23-18-4-6-30(13-18)21-15(9-24)7-17(12-27-21)20-3-5-26-22(29-20)28-19-2-1-14-10-25-11-16(14)8-19/h1-3,5,7-8,12,18,25H,4,6,10-11,13H2,(H,26,28,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246030 (US9433622, DMX- 127) Show SMILES COCCN1Cc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cc2C1 |r| Show InChI InChI=1S/C25H26FN7O/c1-34-9-8-32-14-17-2-3-22(11-20(17)15-32)30-25-28-6-4-23(31-25)19-10-18(12-27)24(29-13-19)33-7-5-21(26)16-33/h2-4,6,10-11,13,21H,5,7-9,14-16H2,1H3,(H,28,30,31)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246033 (US9433622, DMX- 38) Show SMILES OC[C@@H](O)Cn1cc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cn1 |r| Show InChI InChI=1S/C20H22N8O2/c21-8-14-7-15(9-23-19(14)27-5-1-2-6-27)18-3-4-22-20(26-18)25-16-10-24-28(11-16)12-17(30)13-29/h3-4,7,9-11,17,29-30H,1-2,5-6,12-13H2,(H,22,25,26)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246034 (US9433622, DMX- 39) Show SMILES OC[C@H](O)Cn1cc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cn1 |r| Show InChI InChI=1S/C20H22N8O2/c21-8-14-7-15(9-23-19(14)27-5-1-2-6-27)18-3-4-22-20(26-18)25-16-10-24-28(11-16)12-17(30)13-29/h3-4,7,9-11,17,29-30H,1-2,5-6,12-13H2,(H,22,25,26)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246043 (US9433622, DMX- 48) Show SMILES OCCNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cc1 |r| Show InChI InChI=1S/C23H22FN7O2/c24-18-6-9-31(14-18)21-16(12-25)11-17(13-28-21)20-5-7-27-23(30-20)29-19-3-1-15(2-4-19)22(33)26-8-10-32/h1-5,7,11,13,18,32H,6,8-10,14H2,(H,26,33)(H,27,29,30)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246044 (US9433622, DMX- 49) Show SMILES O[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 |r| Show InChI InChI=1S/C24H25N7O2/c25-14-17-13-18(15-27-23(17)31-8-6-21(32)16-31)22-5-7-26-24(29-22)28-19-1-3-20(4-2-19)30-9-11-33-12-10-30/h1-5,7,13,15,21,32H,6,8-12,16H2,(H,26,28,29)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246065 (US9433622, DMX- 136) Show SMILES CC(C)C(Nc1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1)C(N)=O Show InChI InChI=1S/C25H29N9O2/c1-16(2)22(23(27)35)33-24-17(12-26)11-18(13-30-24)21-5-6-28-25(32-21)31-19-3-4-20(29-14-19)15-34-7-9-36-10-8-34/h3-6,11,13-14,16,22H,7-10,15H2,1-2H3,(H2,27,35)(H,30,33)(H,28,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246071 (US9433622, DMX- 57) Show SMILES O[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 |r| Show InChI InChI=1S/C24H25N7O2/c25-15-22-23(31-10-8-19(32)16-31)6-5-20(28-22)21-7-9-26-24(29-21)27-17-1-3-18(4-2-17)30-11-13-33-14-12-30/h1-7,9,19,32H,8,10-14,16H2,(H,26,27,29)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246072 (US9433622, DMX- 58) Show SMILES N#Cc1nc(ccc1N1CCCC1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C24H25N7O/c25-17-22-23(31-11-1-2-12-31)8-7-20(28-22)21-9-10-26-24(29-21)27-18-3-5-19(6-4-18)30-13-15-32-16-14-30/h3-10H,1-2,11-16H2,(H,26,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246076 (US9433622, DMX- 142) Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(NC(=O)CN3CCOCC3)nc2)n1 |r| Show InChI InChI=1S/C25H26FN9O2/c26-17-6-8-35(15-17)22-3-2-19(31-21(22)13-27)20-5-7-28-25(32-20)30-18-1-4-23(29-14-18)33-24(36)16-34-9-11-37-12-10-34/h1-5,7,14,17H,6,8-12,15-16H2,(H,28,30,32)(H,29,33,36)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246077 (US9433622, DMX- 143) Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1 |r| Show InChI InChI=1S/C24H25FN8O/c25-17-6-8-33(15-17)23-4-3-20(30-22(23)13-26)21-5-7-27-24(31-21)29-18-1-2-19(28-14-18)16-32-9-11-34-12-10-32/h1-5,7,14,17H,6,8-12,15-16H2,(H,27,29,31)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246083 (US9433622, DMX- 149) Show SMILES C[C@H]1COCCN1Cc1ccc(Nc2nccc(n2)-c2cc(C#N)c(N3CC[C@H](F)C3)c(n2)C#N)cn1 |r| Show InChI InChI=1S/C26H26FN9O/c1-17-16-37-9-8-35(17)15-21-3-2-20(13-31-21)32-26-30-6-4-22(34-26)23-10-18(11-28)25(24(12-29)33-23)36-7-5-19(27)14-36/h2-4,6,10,13,17,19H,5,7-9,14-16H2,1H3,(H,30,32,34)/t17-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246084 (US9433622, DMX- 150) Show SMILES F[C@H]1CCN(Cc2ccc(Nc3nccc(n3)-c3ccc(N4CC[C@H](F)C4)c(n3)C#N)cn2)C1 |r| Show InChI InChI=1S/C24H24F2N8/c25-16-6-9-33(13-16)15-19-2-1-18(12-29-19)30-24-28-8-5-21(32-24)20-3-4-23(22(11-27)31-20)34-10-7-17(26)14-34/h1-5,8,12,16-17H,6-7,9-10,13-15H2,(H,28,30,32)/t16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246087 (US9433622, DMX- 153) Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1F |r| Show InChI InChI=1S/C24H23F2N7O/c25-16-7-8-33(15-16)22-6-5-20(30-21(22)13-27)23-19(26)14-28-24(31-23)29-17-1-3-18(4-2-17)32-9-11-34-12-10-32/h1-6,14,16H,7-12,15H2,(H,28,29,31)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246092 (US9433622, DMX- 154) Show SMILES CN(C)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C22H23N7O/c1-28(2)21-8-7-18(26-20(21)15-23)19-9-10-24-22(27-19)25-16-3-5-17(6-4-16)29-11-13-30-14-12-29/h3-10H,11-14H2,1-2H3,(H,24,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246094 (US9433622, DMX- 156) Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(CN3CCNC(=O)C3)nc2)n1 |r| Show InChI InChI=1S/C24H24FN9O/c25-16-6-9-34(13-16)22-4-3-19(31-21(22)11-26)20-5-7-28-24(32-20)30-17-1-2-18(29-12-17)14-33-10-8-27-23(35)15-33/h1-5,7,12,16H,6,8-10,13-15H2,(H,27,35)(H,28,30,32)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM245950 (US9433622, DMX- 22) Show SMILES CC(C)(O)CNc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1 |r| Show InChI InChI=1S/C23H25FN8O/c1-23(2,33)14-29-20-4-3-18(12-27-20)30-22-26-7-5-19(31-22)16-9-15(10-25)21(28-11-16)32-8-6-17(24)13-32/h3-5,7,9,11-12,17,33H,6,8,13-14H2,1-2H3,(H,27,29)(H,26,30,31)/t17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM245953 (US9433622, DMX- 25) Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(nc2)N2CCNCC2)n1 |r| Show InChI InChI=1S/C23H24FN9/c24-18-4-8-33(15-18)22-16(12-25)11-17(13-29-22)20-3-5-27-23(31-20)30-19-1-2-21(28-14-19)32-9-6-26-7-10-32/h1-3,5,11,13-14,18,26H,4,6-10,15H2,(H,27,30,31)/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM245964 (US9433622, DMX- 61) Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccnc(c2)N2CCOCC2)n1 |r| Show InChI InChI=1S/C23H23FN8O/c24-18-3-6-32(15-18)22-16(13-25)11-17(14-28-22)20-2-5-27-23(30-20)29-19-1-4-26-21(12-19)31-7-9-33-10-8-31/h1-2,4-5,11-12,14,18H,3,6-10,15H2,(H,26,27,29,30)/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM245966 (US9433622, DMX- 63) Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cn[nH]c2)n1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM245971 (US9433622, DMX- 68) Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1 |r| Show InChI InChI=1S/C24H25FN8O/c25-19-4-6-33(15-19)23-17(12-26)11-18(13-29-23)22-3-5-27-24(31-22)30-20-1-2-21(28-14-20)16-32-7-9-34-10-8-32/h1-3,5,11,13-14,19H,4,6-10,15-16H2,(H,27,30,31)/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246030 (US9433622, DMX- 127) Show SMILES COCCN1Cc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cc2C1 |r| Show InChI InChI=1S/C25H26FN7O/c1-34-9-8-32-14-17-2-3-22(11-20(17)15-32)30-25-28-6-4-23(31-25)19-10-18(12-27)24(29-13-19)33-7-5-21(26)16-33/h2-4,6,10-11,13,21H,5,7-9,14-16H2,1H3,(H,28,30,31)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246032 (US9433622, DMX- 37) Show SMILES NC(=O)c1ccc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cc1 Show InChI InChI=1S/C21H19N7O/c22-12-15-11-16(13-25-20(15)28-9-1-2-10-28)18-7-8-24-21(27-18)26-17-5-3-14(4-6-17)19(23)29/h3-8,11,13H,1-2,9-10H2,(H2,23,29)(H,24,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246044 (US9433622, DMX- 49) Show SMILES O[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 |r| Show InChI InChI=1S/C24H25N7O2/c25-14-17-13-18(15-27-23(17)31-8-6-21(32)16-31)22-5-7-26-24(29-22)28-19-1-3-20(4-2-19)30-9-11-33-12-10-30/h1-5,7,13,15,21,32H,6,8-12,16H2,(H,26,28,29)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246076 (US9433622, DMX- 142) Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(NC(=O)CN3CCOCC3)nc2)n1 |r| Show InChI InChI=1S/C25H26FN9O2/c26-17-6-8-35(15-17)22-3-2-19(31-21(22)13-27)20-5-7-28-25(32-20)30-18-1-4-23(29-14-18)33-24(36)16-34-9-11-37-12-10-34/h1-5,7,14,17H,6,8-12,15-16H2,(H,28,30,32)(H,29,33,36)/t17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246083 (US9433622, DMX- 149) Show SMILES C[C@H]1COCCN1Cc1ccc(Nc2nccc(n2)-c2cc(C#N)c(N3CC[C@H](F)C3)c(n2)C#N)cn1 |r| Show InChI InChI=1S/C26H26FN9O/c1-17-16-37-9-8-35(17)15-21-3-2-20(13-31-21)32-26-30-6-4-22(34-26)23-10-18(11-28)25(24(12-29)33-23)36-7-5-19(27)14-36/h2-4,6,10,13,17,19H,5,7-9,14-16H2,1H3,(H,30,32,34)/t17-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246016 (US9433622, DMX- 112) Show SMILES F[C@@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(NC(=O)CN3CCOCC3)nc2)n1 |r| Show InChI InChI=1S/C25H26FN9O2/c26-19-4-6-35(15-19)24-17(12-27)11-18(13-30-24)21-3-5-28-25(32-21)31-20-1-2-22(29-14-20)33-23(36)16-34-7-9-37-10-8-34/h1-3,5,11,13-14,19H,4,6-10,15-16H2,(H,28,31,32)(H,29,33,36)/t19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246029 (US9433622, DMX- 126) Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc3CNCc3c2)n1 |r| Show InChI InChI=1S/C22H20FN7/c23-18-4-6-30(13-18)21-15(9-24)7-17(12-27-21)20-3-5-26-22(29-20)28-19-2-1-14-10-25-11-16(14)8-19/h1-3,5,7-8,12,18,25H,4,6,10-11,13H2,(H,26,28,29)/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246043 (US9433622, DMX- 48) Show SMILES OCCNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cc1 |r| Show InChI InChI=1S/C23H22FN7O2/c24-18-6-9-31(14-18)21-16(12-25)11-17(13-28-21)20-5-7-27-23(30-20)29-19-3-1-15(2-4-19)22(33)26-8-10-32/h1-5,7,11,13,18,32H,6,8-10,14H2,(H,26,33)(H,27,29,30)/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246065 (US9433622, DMX- 136) Show SMILES CC(C)C(Nc1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1)C(N)=O Show InChI InChI=1S/C25H29N9O2/c1-16(2)22(23(27)35)33-24-17(12-26)11-18(13-30-24)21-5-6-28-25(32-21)31-19-3-4-20(29-14-19)15-34-7-9-36-10-8-34/h3-6,11,13-14,16,22H,7-10,15H2,1-2H3,(H2,27,35)(H,30,33)(H,28,31,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246072 (US9433622, DMX- 58) Show SMILES N#Cc1nc(ccc1N1CCCC1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C24H25N7O/c25-17-22-23(31-11-1-2-12-31)8-7-20(28-22)21-9-10-26-24(29-21)27-18-3-5-19(6-4-18)30-13-15-32-16-14-30/h3-10H,1-2,11-16H2,(H,26,27,29)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246077 (US9433622, DMX- 143) Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1 |r| Show InChI InChI=1S/C24H25FN8O/c25-17-6-8-33(15-17)23-4-3-20(30-22(23)13-26)21-5-7-27-24(31-21)29-18-1-2-19(28-14-18)16-32-9-11-34-12-10-32/h1-5,7,14,17H,6,8-12,15-16H2,(H,27,29,31)/t17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246084 (US9433622, DMX- 150) Show SMILES F[C@H]1CCN(Cc2ccc(Nc3nccc(n3)-c3ccc(N4CC[C@H](F)C4)c(n3)C#N)cn2)C1 |r| Show InChI InChI=1S/C24H24F2N8/c25-16-6-9-33(13-16)15-19-2-1-18(12-29-19)30-24-28-8-5-21(32-24)20-3-4-23(22(11-27)31-20)34-10-7-17(26)14-34/h1-5,8,12,16-17H,6-7,9-10,13-15H2,(H,28,30,32)/t16-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246089 (US9433622, DMX- 165) Show SMILES N#Cc1nc(ccc1N1CCC2(COC2)C1)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1 Show InChI InChI=1S/C26H28N8O2/c27-13-23-24(34-8-6-26(16-34)17-36-18-26)4-3-21(31-23)22-5-7-28-25(32-22)30-19-1-2-20(29-14-19)15-33-9-11-35-12-10-33/h1-5,7,14H,6,8-12,15-18H2,(H,28,30,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM245931 (US9433622, DMX- 3) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cn1 Show InChI InChI=1S/C24H27N9/c1-31-10-12-32(13-11-31)22-5-4-20(17-27-22)29-24-26-7-6-21(30-24)19-14-18(15-25)23(28-16-19)33-8-2-3-9-33/h4-7,14,16-17H,2-3,8-13H2,1H3,(H,26,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair

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