Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'takeda' and Initial = 'n'   

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))	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	US Patent	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50352206 (CHEMBL1825089) Show SMILES CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 Show InChI InChI=1S/C25H35N7O3S/c1-36(33,34)31(13-12-30-14-16-35-17-15-30)22-10-8-21(9-11-22)28-25-26-18-20-19-27-32(24(20)29-25)23-6-4-2-3-5-7-23/h8-11,18-19,23H,2-7,12-17H2,1H3,(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 using a fluorescent probe 7-methoxy-4-trifluoromethylcoumarin				Bioorg Med Chem Lett 21: 5633-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.129 BindingDB Entry DOI: 10.7270/Q2HM58VW
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316168 (2-[(3-{[4-(3-{2-[2-(2-aminoethoxy)ethoxy]ethyl}ure...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)NCCOCCOCCN)cc1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;$| Show InChI InChI=1S/C30H32N6O4S/c1-32-29(37)25-4-2-3-5-28(25)41-23-11-12-24-26(35-36-27(24)20-23)13-8-21-6-9-22(10-7-21)34-30(38)33-15-17-40-19-18-39-16-14-31/h2-7,9-12,20H,14-19,31H2,1H3,(H,32,37)(H,35,36)(H2,33,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316167 (2-[(3-{[4-(3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}u...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)NCCOCCOCCO)cc1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;$| Show InChI InChI=1S/C30H31N5O5S/c1-31-29(37)25-4-2-3-5-28(25)41-23-11-12-24-26(34-35-27(24)20-23)13-8-21-6-9-22(10-7-21)33-30(38)32-14-16-39-18-19-40-17-15-36/h2-7,9-12,20,36H,14-19H2,1H3,(H,31,37)(H,34,35)(H2,32,33,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50352202 (CHEMBL1825101) Show SMILES CS(=O)(=O)N(CCN)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1 Show InChI InChI=1S/C20H28N8O2S/c1-31(29,30)27(11-10-21)18-9-8-16(14-22-18)25-20-23-12-15-13-24-28(19(15)26-20)17-6-4-2-3-5-7-17/h8-9,12-14,17H,2-7,10-11,21H2,1H3,(H,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B assessed as phosphorylation of Z-lyte Peptide at 0.017 to 30 nM by FRET assay				Bioorg Med Chem Lett 21: 5633-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.129 BindingDB Entry DOI: 10.7270/Q2HM58VW
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316133 (2-[(3-{[4-(3-{2-[2-(2-methoxyethoxy)ethoxy]ethyl}u...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)NCCOCCOCCOC)cc1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;$| Show InChI InChI=1S/C31H33N5O5S/c1-32-30(37)26-5-3-4-6-29(26)42-24-12-13-25-27(35-36-28(25)21-24)14-9-22-7-10-23(11-8-22)34-31(38)33-15-16-40-19-20-41-18-17-39-2/h3-8,10-13,21H,15-20H2,1-2H3,(H,32,37)(H,35,36)(H2,33,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316132 (2-({3-[(4-{3-[2-(2-methoxyethoxy)ethyl]ureido}phen...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)NCCOCCOC)cc1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C29H29N5O4S/c1-30-28(35)24-5-3-4-6-27(24)39-22-12-13-23-25(33-34-26(23)19-22)14-9-20-7-10-21(11-8-20)32-29(36)31-15-16-38-18-17-37-2/h3-8,10-13,19H,15-18H2,1-2H3,(H,30,35)(H,33,34)(H2,31,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316169 (2-{[3-({4-[3-(2-{2-[2-(dimethylamino)ethoxy]ethoxy...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)NCCOCCOCCN(C)C)cc1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;;$| Show InChI InChI=1S/C32H36N6O4S/c1-33-31(39)27-6-4-5-7-30(27)43-25-13-14-26-28(36-37-29(26)22-25)15-10-23-8-11-24(12-9-23)35-32(40)34-16-18-41-20-21-42-19-17-38(2)3/h4-9,11-14,22H,16-21H2,1-3H3,(H,33,39)(H,36,37)(H2,34,35,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316153 (2-{[3-({4-[(2,5,8,11-tetraoxatridecane-13-yl)amino...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NCCOCCOCCOCCOC)cc1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C32H36N4O5S/c1-33-32(37)28-5-3-4-6-31(28)42-26-12-13-27-29(35-36-30(27)23-26)14-9-24-7-10-25(11-8-24)34-15-16-39-19-20-41-22-21-40-18-17-38-2/h3-8,10-13,23,34H,15-22H2,1-2H3,(H,33,37)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316151 (2-({3-[(4-{[2-(2-methoxyethoxy)ethyl]amino}phenyl)...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NCCOCCOC)cc1 Show InChI InChI=1S/C28H28N4O3S/c1-29-28(33)24-5-3-4-6-27(24)36-22-12-13-23-25(31-32-26(23)19-22)14-9-20-7-10-21(11-8-20)30-15-16-35-18-17-34-2/h3-8,10-13,19,30H,15-18H2,1-2H3,(H,29,33)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316134 (2-{[3-({4-[3-(2,5,8,11-tetraoxatridecane-13-yl)ure...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)NCCOCCOCCOCCOC)cc1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C33H37N5O6S/c1-34-32(39)28-5-3-4-6-31(28)45-26-12-13-27-29(37-38-30(27)23-26)14-9-24-7-10-25(11-8-24)36-33(40)35-15-16-42-19-20-44-22-21-43-18-17-41-2/h3-8,10-13,23H,15-22H2,1-2H3,(H,34,39)(H,37,38)(H2,35,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316135 (2-{[3-({4-[3-(2,5,8,11,14-pentaoxahexadecane-16-yl...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)NCCOCCOCCOCCOCCOC)cc1 Show InChI InChI=1S/C35H41N5O7S/c1-36-34(41)30-5-3-4-6-33(30)48-28-12-13-29-31(39-40-32(29)25-28)14-9-26-7-10-27(11-8-26)38-35(42)37-15-16-44-19-20-46-23-24-47-22-21-45-18-17-43-2/h3-8,10-13,25H,15-24H2,1-2H3,(H,36,41)(H,39,40)(H2,37,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50352200 (CHEMBL1825100) Show SMILES CS(=O)(=O)N(CCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1 Show InChI InChI=1S/C20H27N7O3S/c1-31(29,30)26(10-11-28)18-9-8-16(14-21-18)24-20-22-12-15-13-23-27(19(15)25-20)17-6-4-2-3-5-7-17/h8-9,12-14,17,28H,2-7,10-11H2,1H3,(H,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B assessed as phosphorylation of Z-lyte Peptide at 0.017 to 30 nM by FRET assay				Bioorg Med Chem Lett 21: 5633-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.129 BindingDB Entry DOI: 10.7270/Q2HM58VW
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM312269 (2-{[3-({3-[3-(2-methoxyethyl)ureido]phenyl}ethynyl...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1cccc(NC(=O)NCCOC)c1 Show InChI InChI=1S/C27H25N5O3S/c1-28-26(33)22-8-3-4-9-25(22)36-20-11-12-21-23(31-32-24(21)17-20)13-10-18-6-5-7-19(16-18)30-27(34)29-14-15-35-2/h3-9,11-12,16-17H,14-15H2,1-2H3,(H,28,33)(H,31,32)(H2,29,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316152 (2-[(3-{[4-({2-[2-(2-methoxyethoxy)ethoxy]ethyl}ami...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NCCOCCOCCOC)cc1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C30H32N4O4S/c1-31-30(35)26-5-3-4-6-29(26)39-24-12-13-25-27(33-34-28(25)21-24)14-9-22-7-10-23(11-8-22)32-15-16-37-19-20-38-18-17-36-2/h3-8,10-13,21,32H,15-20H2,1-2H3,(H,31,35)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316145 (N-{4-[(6-{[2-(methylcarbamoyl)phenyl]thio}-1H-inda...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)COCCOCCOCCOC)cc1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C32H34N4O6S/c1-33-32(38)27-5-3-4-6-30(27)43-25-12-13-26-28(35-36-29(26)21-25)14-9-23-7-10-24(11-8-23)34-31(37)22-42-20-19-41-18-17-40-16-15-39-2/h3-8,10-13,21H,15-20,22H2,1-2H3,(H,33,38)(H,34,37)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316160 (2-[(3-{[5-(3-{2-[2-(2-methoxyethoxy)ethoxy]ethyl}u...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)NCCOCCOCCOC)cn1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;$| Show InChI InChI=1S/C30H32N6O5S/c1-31-29(37)25-5-3-4-6-28(25)42-23-10-11-24-26(35-36-27(24)19-23)12-9-21-7-8-22(20-33-21)34-30(38)32-13-14-40-17-18-41-16-15-39-2/h3-8,10-11,19-20H,13-18H2,1-2H3,(H,31,37)(H,35,36)(H2,32,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316154 (2-{[3-({4-[(2,5,8,11,14-pentaoxahexadecane-16-yl)a...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NCCOCCOCCOCCOCCOC)cc1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C34H40N4O6S/c1-35-34(39)30-5-3-4-6-33(30)45-28-12-13-29-31(37-38-32(29)25-28)14-9-26-7-10-27(11-8-26)36-15-16-41-19-20-43-23-24-44-22-21-42-18-17-40-2/h3-8,10-13,25,36H,15-24H2,1-2H3,(H,35,39)(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316166 (N-{6-[(6-{[2-(methylcarbamoyl)phenyl]thio}-1H-inda...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)COCCOCCOCCOC)cn1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H33N5O6S/c1-32-31(38)26-5-3-4-6-29(26)43-24-10-11-25-27(35-36-28(25)19-24)12-9-22-7-8-23(20-33-22)34-30(37)21-42-18-17-41-16-15-40-14-13-39-2/h3-8,10-11,19-20H,13-18,21H2,1-2H3,(H,32,38)(H,34,37)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316131 (2-{[3-({4-[3-(2-methoxyethyl)ureido]phenyl}ethynyl...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)NCCOC)cc1 Show InChI InChI=1S/C27H25N5O3S/c1-28-26(33)22-5-3-4-6-25(22)36-20-12-13-21-23(31-32-24(21)17-20)14-9-18-7-10-19(11-8-18)30-27(34)29-15-16-35-2/h3-8,10-13,17H,15-16H2,1-2H3,(H,28,33)(H,31,32)(H2,29,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316144 (N-{3-[(6-{[2-(methylcarbamoyl)phenyl]thio}-1H-inda...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1cccc(NC(=O)COCCOCCOCCOCCOCCOC)c1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C36H42N4O8S/c1-37-36(42)31-8-3-4-9-34(31)49-29-11-12-30-32(39-40-33(30)25-29)13-10-27-6-5-7-28(24-27)38-35(41)26-48-23-22-47-21-20-46-19-18-45-17-16-44-15-14-43-2/h3-9,11-12,24-25H,14-23,26H2,1-2H3,(H,37,42)(H,38,41)(H,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316072 (2-({3-[(3-{3-[2-(2-methoxyethoxy)ethyl]ureido}phen...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1cccc(NC(=O)NCCOCCOC)c1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C29H29N5O4S/c1-30-28(35)24-8-3-4-9-27(24)39-22-11-12-23-25(33-34-26(23)19-22)13-10-20-6-5-7-21(18-20)32-29(36)31-14-15-38-17-16-37-2/h3-9,11-12,18-19H,14-17H2,1-2H3,(H,30,35)(H,33,34)(H2,31,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316147 (N-{4-[(6-{[2-(methylcarbamoyl)phenyl]thio}-1H-inda...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)COCCOCCOCCOCCOCCOC)cc1 Show InChI InChI=1S/C36H42N4O8S/c1-37-36(42)31-5-3-4-6-34(31)49-29-12-13-30-32(39-40-33(30)25-29)14-9-27-7-10-28(11-8-27)38-35(41)26-48-24-23-47-22-21-46-20-19-45-18-17-44-16-15-43-2/h3-8,10-13,25H,15-24,26H2,1-2H3,(H,37,42)(H,38,41)(H,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316146 (N-{4-[(6-{[2-(methylcarbamoyl)phenyl]thio}-1H-inda...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)COCCOCCOCCOCCOC)cc1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C34H38N4O7S/c1-35-34(40)29-5-3-4-6-32(29)46-27-12-13-28-30(37-38-31(28)23-27)14-9-25-7-10-26(11-8-25)36-33(39)24-45-22-21-44-20-19-43-18-17-42-16-15-41-2/h3-8,10-13,23H,15-22,24H2,1-2H3,(H,35,40)(H,36,39)(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50352208 (CHEMBL1825090) Show SMILES CS(=O)(=O)N(CCCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 Show InChI InChI=1S/C26H37N7O3S/c1-37(34,35)32(14-6-13-31-15-17-36-18-16-31)23-11-9-22(10-12-23)29-26-27-19-21-20-28-33(25(21)30-26)24-7-4-2-3-5-8-24/h9-12,19-20,24H,2-8,13-18H2,1H3,(H,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B assessed as phosphorylation of Z-lyte Peptide at 0.017 to 30 nM by FRET assay				Bioorg Med Chem Lett 21: 5633-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.129 BindingDB Entry DOI: 10.7270/Q2HM58VW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50352215 (CHEMBL1825093) Show SMILES CS(=O)(=O)N(CCN)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 Show InChI InChI=1S/C21H29N7O2S/c1-31(29,30)27(13-12-22)18-10-8-17(9-11-18)25-21-23-14-16-15-24-28(20(16)26-21)19-6-4-2-3-5-7-19/h8-11,14-15,19H,2-7,12-13,22H2,1H3,(H,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B assessed as phosphorylation of Z-lyte Peptide at 0.017 to 30 nM by FRET assay				Bioorg Med Chem Lett 21: 5633-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.129 BindingDB Entry DOI: 10.7270/Q2HM58VW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50352212 (CHEMBL1821761) Show SMILES CS(=O)(=O)N(CCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 Show InChI InChI=1S/C21H28N6O3S/c1-31(29,30)26(12-13-28)18-10-8-17(9-11-18)24-21-22-14-16-15-23-27(20(16)25-21)19-6-4-2-3-5-7-19/h8-11,14-15,19,28H,2-7,12-13H2,1H3,(H,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B assessed as phosphorylation of Z-lyte Peptide at 0.017 to 30 nM by FRET assay				Bioorg Med Chem Lett 21: 5633-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.129 BindingDB Entry DOI: 10.7270/Q2HM58VW
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50352209 (CHEMBL1825092) Show SMILES CC(C)N(c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1)S(C)(=O)=O Show InChI InChI=1S/C22H30N6O2S/c1-16(2)28(31(3,29)30)20-12-10-18(11-13-20)25-22-23-14-17-15-24-27(21(17)26-22)19-8-6-4-5-7-9-19/h10-16,19H,4-9H2,1-3H3,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A assessed as phosphorylation of Lats2 substrate at 0.017 to 30 nM by FRET assay				Bioorg Med Chem Lett 21: 5633-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.129 BindingDB Entry DOI: 10.7270/Q2HM58VW
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50352208 (CHEMBL1825090) Show SMILES CS(=O)(=O)N(CCCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 Show InChI InChI=1S/C26H37N7O3S/c1-37(34,35)32(14-6-13-31-15-17-36-18-16-31)23-11-9-22(10-12-23)29-26-27-19-21-20-28-33(25(21)30-26)24-7-4-2-3-5-8-24/h9-12,19-20,24H,2-8,13-18H2,1H3,(H,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A assessed as phosphorylation of Lats2 substrate at 0.017 to 30 nM by FRET assay				Bioorg Med Chem Lett 21: 5633-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.129 BindingDB Entry DOI: 10.7270/Q2HM58VW
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316170 (2-[(3-{[4-(3-{2-[2-(2-acetamideethoxy)ethoxy]ethyl...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)NCCOCCOCCNC(C)=O)cc1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;;;$| Show InChI InChI=1S/C32H34N6O5S/c1-22(39)34-15-17-42-19-20-43-18-16-35-32(41)36-24-10-7-23(8-11-24)9-14-28-26-13-12-25(21-29(26)38-37-28)44-30-6-4-3-5-27(30)31(40)33-2/h3-8,10-13,21H,15-20H2,1-2H3,(H,33,40)(H,34,39)(H,37,38)(H2,35,36,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316141 (2-[2-(2-methoxyethoxy)ethoxy]ethyl {4-[(6-{[2-(met...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)OCCOCCOCCOC)cc1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H32N4O6S/c1-32-30(36)26-5-3-4-6-29(26)42-24-12-13-25-27(34-35-28(25)21-24)14-9-22-7-10-23(11-8-22)33-31(37)41-20-19-40-18-17-39-16-15-38-2/h3-8,10-13,21H,15-20H2,1-2H3,(H,32,36)(H,33,37)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316157 (2-[(3-{[6-(3-{2-[2-(2-methoxyethoxy)ethoxy] ethyl}...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)NCCOCCOCCOC)nc1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;$| Show InChI InChI=1S/C30H32N6O5S/c1-31-29(37)24-5-3-4-6-27(24)42-22-9-10-23-25(35-36-26(23)19-22)11-7-21-8-12-28(33-20-21)34-30(38)32-13-14-40-17-18-41-16-15-39-2/h3-6,8-10,12,19-20H,13-18H2,1-2H3,(H,31,37)(H,35,36)(H2,32,33,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316173 (6-[2-(methylcarbamoyl)phenylsulfanyl]-3-[2-(pyridi...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccccn1 Show InChI InChI=1S/C22H16N4OS/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/h2-8,10-11,13-14H,1H3,(H,23,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316161 (2-{[3-({5-[3-(2,5,8,11-tetraoxatridecane-13-yl)ure...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)NCCOCCOCCOCCOC)cn1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C32H36N6O6S/c1-33-31(39)27-5-3-4-6-30(27)45-25-10-11-26-28(37-38-29(26)21-25)12-9-23-7-8-24(22-35-23)36-32(40)34-13-14-42-17-18-44-20-19-43-16-15-41-2/h3-8,10-11,21-22H,13-20H2,1-2H3,(H,33,39)(H,37,38)(H2,34,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316140 (2-(2-methoxyethoxy)ethyl {4-[(6-{[2-(methylcarbamo...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)OCCOCCOC)cc1 Show InChI InChI=1S/C29H28N4O5S/c1-30-28(34)24-5-3-4-6-27(24)39-22-12-13-23-25(32-33-26(23)19-22)14-9-20-7-10-21(11-8-20)31-29(35)38-18-17-37-16-15-36-2/h3-8,10-13,19H,15-18H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316083 (2-[(3-{[3-(3-{2-[2-(2-methoxyethoxy)ethoxy]ethyl}u...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1cccc(NC(=O)NCCOCCOCCOC)c1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H33N5O5S/c1-32-30(37)26-8-3-4-9-29(26)42-24-11-12-25-27(35-36-28(25)21-24)13-10-22-6-5-7-23(20-22)34-31(38)33-14-15-40-18-19-41-17-16-39-2/h3-9,11-12,20-21H,14-19H2,1-2H3,(H,32,37)(H,35,36)(H2,33,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316162 (2-{[3-({5-[3-(2,5,8,11,14-pentaoxahexadecane-16-yl...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)NCCOCCOCCOCCOCCOC)cn1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C34H40N6O7S/c1-35-33(41)29-5-3-4-6-32(29)48-27-10-11-28-30(39-40-31(28)23-27)12-9-25-7-8-26(24-37-25)38-34(42)36-13-14-44-17-18-46-21-22-47-20-19-45-16-15-43-2/h3-8,10-11,23-24H,13-22H2,1-2H3,(H,35,41)(H,39,40)(H2,36,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50352210 (CHEMBL1825091) Show SMILES CS(=O)(=O)N(CCCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 Show InChI InChI=1S/C22H30N6O3S/c1-32(30,31)27(13-6-14-29)19-11-9-18(10-12-19)25-22-23-15-17-16-24-28(21(17)26-22)20-7-4-2-3-5-8-20/h9-12,15-16,20,29H,2-8,13-14H2,1H3,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A assessed as phosphorylation of Lats2 substrate at 0.017 to 30 nM by FRET assay				Bioorg Med Chem Lett 21: 5633-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.129 BindingDB Entry DOI: 10.7270/Q2HM58VW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50352210 (CHEMBL1825091) Show SMILES CS(=O)(=O)N(CCCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 Show InChI InChI=1S/C22H30N6O3S/c1-32(30,31)27(13-6-14-29)19-11-9-18(10-12-19)25-22-23-15-17-16-24-28(21(17)26-22)20-7-4-2-3-5-8-20/h9-12,15-16,20,29H,2-8,13-14H2,1H3,(H,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B assessed as phosphorylation of Z-lyte Peptide at 0.017 to 30 nM by FRET assay				Bioorg Med Chem Lett 21: 5633-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.129 BindingDB Entry DOI: 10.7270/Q2HM58VW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50352211 (CHEMBL1825095) Show SMILES CS(=O)(=O)N(CCCN1CCCCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 Show InChI InChI=1S/C27H39N7O2S/c1-37(35,36)33(19-9-18-32-16-7-4-8-17-32)24-14-12-23(13-15-24)30-27-28-20-22-21-29-34(26(22)31-27)25-10-5-2-3-6-11-25/h12-15,20-21,25H,2-11,16-19H2,1H3,(H,28,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B assessed as phosphorylation of Z-lyte Peptide at 0.017 to 30 nM by FRET assay				Bioorg Med Chem Lett 21: 5633-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.129 BindingDB Entry DOI: 10.7270/Q2HM58VW
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316171 (N-methyl-2-[(3-{[4-(3-{2-[2-(2-morpholinoethoxy)et...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)NCCOCCOCCN2CCOCC2)cc1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C34H38N6O5S/c1-35-33(41)29-4-2-3-5-32(29)46-27-11-12-28-30(38-39-31(28)24-27)13-8-25-6-9-26(10-7-25)37-34(42)36-14-18-43-22-23-45-21-17-40-15-19-44-20-16-40/h2-7,9-12,24H,14-23H2,1H3,(H,35,41)(H,38,39)(H2,36,37,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316142 (2,5,8,11-tetraoxatridecane-13-yl {4-[(6-{[2-(methy...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)OCCOCCOCCOCCOC)cc1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C33H36N4O7S/c1-34-32(38)28-5-3-4-6-31(28)45-26-12-13-27-29(36-37-30(27)23-26)14-9-24-7-10-25(11-8-24)35-33(39)44-22-21-43-20-19-42-18-17-41-16-15-40-2/h3-8,10-13,23H,15-22H2,1-2H3,(H,34,38)(H,35,39)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316085 (2-{[(3-({3-[3-(2,5,8,11-tetraoxatridecane-13-yl)ur...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1cccc(NC(=O)NCCOCCOCCOCCOC)c1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C33H37N5O6S/c1-34-32(39)28-8-3-4-9-31(28)45-26-11-12-27-29(37-38-30(27)23-26)13-10-24-6-5-7-25(22-24)36-33(40)35-14-15-42-18-19-44-21-20-43-17-16-41-2/h3-9,11-12,22-23H,14-21H2,1-2H3,(H,34,39)(H,37,38)(H2,35,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50352205 (CHEMBL1825096) Show SMILES CS(=O)(=O)Nc1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1 Show InChI InChI=1S/C18H23N7O2S/c1-28(26,27)24-16-9-8-14(12-19-16)22-18-20-10-13-11-21-25(17(13)23-18)15-6-4-2-3-5-7-15/h8-12,15H,2-7H2,1H3,(H,19,24)(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B assessed as phosphorylation of Z-lyte Peptide at 0.017 to 30 nM by FRET assay				Bioorg Med Chem Lett 21: 5633-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.129 BindingDB Entry DOI: 10.7270/Q2HM58VW
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316137 (2-(2-methoxyethoxy)ethyl {3-[(6-{[2-(methylcarbamo...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1cccc(NC(=O)OCCOCCOC)c1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C29H28N4O5S/c1-30-28(34)24-8-3-4-9-27(24)39-22-11-12-23-25(32-33-26(23)19-22)13-10-20-6-5-7-21(18-20)31-29(35)38-17-16-37-15-14-36-2/h3-9,11-12,18-19H,14-17H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316139 (2-methoxyethyl {4-[(6-{[2-(methylcarbamoyl)phenyl]...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)OCCOC)cc1 Show InChI InChI=1S/C27H24N4O4S/c1-28-26(32)22-5-3-4-6-25(22)36-20-12-13-21-23(30-31-24(21)17-20)14-9-18-7-10-19(11-8-18)29-27(33)35-16-15-34-2/h3-8,10-13,17H,15-16H2,1-2H3,(H,28,32)(H,29,33)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316130 (2-{[3-({3-[3-(2,5,8,11,14-pentaoxahexadecane-16-yl...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1cccc(NC(=O)NCCOCCOCCOCCOCCOC)c1 Show InChI InChI=1S/C35H41N5O7S/c1-36-34(41)30-8-3-4-9-33(30)48-28-11-12-29-31(39-40-32(29)25-28)13-10-26-6-5-7-27(24-26)38-35(42)37-14-15-44-18-19-46-22-23-47-21-20-45-17-16-43-2/h3-9,11-12,24-25H,14-23H2,1-2H3,(H,36,41)(H,39,40)(H2,37,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316163 (N-{5-[(6-{[2-(methylcarbamoyl)phenyl]thio}-1H-inda...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)COCCOCCOCCOC)nc1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H33N5O6S/c1-32-31(38)25-5-3-4-6-28(25)43-23-9-10-24-26(35-36-27(24)19-23)11-7-22-8-12-29(33-20-22)34-30(37)21-42-18-17-41-16-15-40-14-13-39-2/h3-6,8-10,12,19-20H,13-18,21H2,1-2H3,(H,32,38)(H,35,36)(H,33,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316143 (2,5,8,11,14-pentaoxahexadecane-16-yl {4-[(6-{[2-(m...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1ccc(NC(=O)OCCOCCOCCOCCOCCOC)cc1 Show InChI InChI=1S/C35H40N4O8S/c1-36-34(40)30-5-3-4-6-33(30)48-28-12-13-29-31(38-39-32(29)25-28)14-9-26-7-10-27(11-8-26)37-35(41)47-24-23-46-22-21-45-20-19-44-18-17-43-16-15-42-2/h3-8,10-13,25H,15-24H2,1-2H3,(H,36,40)(H,37,41)(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM316136 (2-methoxyethyl {3-[(6-{[2-(methylcarbamoyl)phenyl]...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(n[nH]c2c1)C#Cc1cccc(NC(=O)OCCOC)c1 Show InChI InChI=1S/C27H24N4O4S/c1-28-26(32)22-8-3-4-9-25(22)36-20-11-12-21-23(30-31-24(21)17-20)13-10-18-6-5-7-19(16-18)29-27(33)35-15-14-34-2/h3-9,11-12,16-17H,14-15H2,1-2H3,(H,28,32)(H,29,33)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
SENJU PHARMACEUTICAL CO., LTD. US Patent					Assay Description Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this t...				US Patent US9617222 (2017) BindingDB Entry DOI: 10.7270/Q2FN189X
					More data for this Ligand-Target Pair

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