Compile Data Set for Download or QSAR
Found 52 of ec50 for UniProtKB: P35968
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM50269389(CHEMBL4069483)
Show SMILES COc1cc2ncnc(-n3nc(Nc4ccc(cc4)N4CCN(C)CC4)nc3N)c2cc1OC
Show InChI InChI=1S/C23H27N9O2/c1-30-8-10-31(11-9-30)16-6-4-15(5-7-16)27-23-28-22(24)32(29-23)21-17-12-19(33-2)20(34-3)13-18(17)25-14-26-21/h4-7,12-14H,8-11H2,1-3H3,(H3,24,27,28,29)
Affinity DataEC50:  3nMAssay Description:Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins ...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21095(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3,5-d...)
Show SMILES Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
Show InChI InChI=1S/C22H20N4O2/c1-13-10-14(2)12-17(11-13)25-22(27)24-16-8-6-15(7-9-16)18-4-3-5-19-20(18)21(23)26-28-19/h3-12H,1-2H3,(H2,23,26)(H2,24,25,27)
Affinity DataIC50: 8nM EC50:  3nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM313124(1-(6,7-dimethoxyquinazolin-4-yl)-N3-(4-(1-methylpi...)
Show SMILES COc1cc2ncnc(-n3nc(Nc4ccc(OC5CCCN(C)C5)cc4)nc3N)c2cc1OC
Show InChI InChI=1S/C24H28N8O3/c1-31-10-4-5-17(13-31)35-16-8-6-15(7-9-16)28-24-29-23(25)32(30-24)22-18-11-20(33-2)21(34-3)12-19(18)26-14-27-22/h6-9,11-12,14,17H,4-5,10,13H2,1-3H3,(H3,25,28,29,30)
Affinity DataEC50:  4nMAssay Description:Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21088(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-bro...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12
Show InChI InChI=1S/C20H15BrN4O2/c21-13-3-1-4-15(11-13)24-20(26)23-14-9-7-12(8-10-14)16-5-2-6-17-18(16)19(22)25-27-17/h1-11H,(H2,22,25)(H2,23,24,26)
Affinity DataIC50: 10nM EC50:  5nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21084(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-met...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
Show InChI InChI=1S/C21H18N4O2/c1-13-4-2-5-16(12-13)24-21(26)23-15-10-8-14(9-11-15)17-6-3-7-18-19(17)20(22)25-27-18/h2-12H,1H3,(H2,22,25)(H2,23,24,26)
Affinity DataIC50: 7nM EC50:  5nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21085(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-met...)
Show SMILES COc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
Show InChI InChI=1S/C21H18N4O3/c1-27-16-5-2-4-15(12-16)24-21(26)23-14-10-8-13(9-11-14)17-6-3-7-18-19(17)20(22)25-28-18/h2-12H,1H3,(H2,22,25)(H2,23,24,26)
Affinity DataIC50: 17nM EC50:  11nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM313137(1-(6,7-dimethoxyquinazolin-4-yl)-N3-(4-(1-methylpi...)
Show SMILES COc1cc2ncnc(-n3nc(Nc4ccc(cc4)C4CCN(C)CC4)nc3N)c2cc1OC
Show InChI InChI=1S/C24H28N8O2/c1-31-10-8-16(9-11-31)15-4-6-17(7-5-15)28-24-29-23(25)32(30-24)22-18-12-20(33-2)21(34-3)13-19(18)26-14-27-22/h4-7,12-14,16H,8-11H2,1-3H3,(H3,25,28,29,30)
Affinity DataEC50:  14nMAssay Description:Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21106(3-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl...)
Show SMILES COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12
Show InChI InChI=1S/C21H17BrN4O3/c1-28-17-10-9-16(18-19(17)29-26-20(18)23)12-5-7-14(8-6-12)24-21(27)25-15-4-2-3-13(22)11-15/h2-11H,1H3,(H2,23,26)(H2,24,25,27)
Affinity DataIC50: 8nM EC50:  15nMAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21086(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-nit...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(c4)[N+]([O-])=O)cc3)c12
Show InChI InChI=1S/C20H15N5O4/c21-19-18-16(5-2-6-17(18)29-24-19)12-7-9-13(10-8-12)22-20(26)23-14-3-1-4-15(11-14)25(27)28/h1-11H,(H2,21,24)(H2,22,23,26)
Affinity DataIC50: 19nM EC50:  17nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21105(3-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl...)
Show SMILES COc1ccc(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c2c(N)noc12
Show InChI InChI=1S/C21H17ClN4O3/c1-28-17-10-9-16(18-19(17)29-26-20(18)23)12-5-7-14(8-6-12)24-21(27)25-15-4-2-3-13(22)11-15/h2-11H,1H3,(H2,23,26)(H2,24,25,27)
Affinity DataIC50: 41nM EC50:  18nMAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM313140(1-(6,7-dimethoxyquinazolin-4-yl)-N3-(4-((S)-3-(dim...)
Show SMILES COc1cc2ncnc(-n3nc(Nc4ccc(cc4)N4CC[C@@H](C4)N(C)C)nc3N)c2cc1OC
Show InChI InChI=1S/C24H29N9O2/c1-31(2)17-9-10-32(13-17)16-7-5-15(6-8-16)28-24-29-23(25)33(30-24)22-18-11-20(34-3)21(35-4)12-19(18)26-14-27-22/h5-8,11-12,14,17H,9-10,13H2,1-4H3,(H3,25,28,29,30)/t17-/m0/s1
Affinity DataEC50:  19nMAssay Description:Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21099(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-chl...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)c12
Show InChI InChI=1S/C20H14ClFN4O2/c21-15-10-13(8-9-16(15)22)25-20(27)24-12-6-4-11(5-7-12)14-2-1-3-17-18(14)19(23)26-28-17/h1-10H,(H2,23,26)(H2,24,25,27)
Affinity DataIC50: 59nM EC50:  19nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21103(3-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl...)
Show SMILES COc1ccc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c2c(N)noc12
Show InChI InChI=1S/C22H19FN4O3/c1-12-3-9-16(23)17(11-12)26-22(28)25-14-6-4-13(5-7-14)15-8-10-18(29-2)20-19(15)21(24)27-30-20/h3-11H,1-2H3,(H2,24,27)(H2,25,26,28)
Affinity DataIC50: 21nM EC50:  20nMAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21087(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-flu...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H15FN4O2/c21-13-3-1-4-15(11-13)24-20(26)23-14-9-7-12(8-10-14)16-5-2-6-17-18(16)19(22)25-27-17/h1-11H,(H2,22,25)(H2,23,24,26)
Affinity DataIC50: 44nM EC50:  21nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM50242740(CHEMBL459850 | N-(3-(7-Amino-1-methyl-2-oxo-1,2-di...)
Show SMILES CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C22H19F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-10H,11H2,1-2H3,(H,28,32)(H2,26,27,29)
Affinity DataEC50:  22nMAssay Description:Inhibition of KDR by cellular assayMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21111(3-(4-{3-amino-7-[2-(morpholin-4-yl)ethoxy]-1,2-ben...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(OCCN3CCOCC3)c3onc(N)c23)c1
Show InChI InChI=1S/C27H28FN5O4/c1-17-2-8-21(28)22(16-17)31-27(34)30-19-5-3-18(4-6-19)20-7-9-23(25-24(20)26(29)32-37-25)36-15-12-33-10-13-35-14-11-33/h2-9,16H,10-15H2,1H3,(H2,29,32)(H2,30,31,34)
Affinity DataIC50: 45nM EC50:  22nMAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21093(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(4-flu...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12
Show InChI InChI=1S/C20H15FN4O2/c21-13-6-10-15(11-7-13)24-20(26)23-14-8-4-12(5-9-14)16-2-1-3-17-18(16)19(22)25-27-17/h1-11H,(H2,22,25)(H2,23,24,26)
Affinity DataIC50: 134nM EC50:  23nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM50269386(CHEMBL4071242)
Show SMILES Nc1nc(Nc2ccc(cc2)N2CCN(CC2)C2CC3CCC2C3)nn1-c1ncnc2c3cccnc3sc12
Show InChI InChI=1S/C28H30N10S/c29-27-34-28(35-38(27)25-24-23(31-16-32-25)21-2-1-9-30-26(21)39-24)33-19-5-7-20(8-6-19)36-10-12-37(13-11-36)22-15-17-3-4-18(22)14-17/h1-2,5-9,16-18,22H,3-4,10-15H2,(H3,29,33,34,35)
Affinity DataEC50:  24nMAssay Description:Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins ...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM50269385(CHEMBL4098293)
Show SMILES Nc1nc(Nc2ccc(cc2)N2CCN(CC2)C2CC3CCC2C3)nn1-c1ncnc2ccsc12
Show InChI InChI=1S/C25H29N9S/c26-24-30-25(31-34(24)23-22-20(7-12-35-22)27-15-28-23)29-18-3-5-19(6-4-18)32-8-10-33(11-9-32)21-14-16-1-2-17(21)13-16/h3-7,12,15-17,21H,1-2,8-11,13-14H2,(H3,26,29,30,31)
Affinity DataEC50:  24nMAssay Description:Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins ...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21080(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-phenyl...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12
Show InChI InChI=1S/C20H16N4O2/c21-19-18-16(7-4-8-17(18)26-24-19)13-9-11-15(12-10-13)23-20(25)22-14-5-2-1-3-6-14/h1-12H,(H2,21,24)(H2,22,23,25)
Affinity DataIC50: 23nM EC50:  25nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM50269390(CHEMBL4080190)
Show SMILES COc1cc2ncnc(-n3nc(Nc4ccc(N5CCN(CC5)C5CCCCC5)c(F)c4)nc3N)c2cc1OC
Show InChI InChI=1S/C28H34FN9O2/c1-39-24-15-20-22(16-25(24)40-2)31-17-32-26(20)38-27(30)34-28(35-38)33-18-8-9-23(21(29)14-18)37-12-10-36(11-13-37)19-6-4-3-5-7-19/h8-9,14-17,19H,3-7,10-13H2,1-2H3,(H3,30,33,34,35)
Affinity DataEC50:  26nMAssay Description:Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins ...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21089(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-chl...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C20H15ClN4O2/c21-13-3-1-4-15(11-13)24-20(26)23-14-9-7-12(8-10-14)16-5-2-6-17-18(16)19(22)25-27-17/h1-11H,(H2,22,25)(H2,23,24,26)
Affinity DataIC50: 8nM EC50:  28nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21104(3-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl...)
Show SMILES COc1ccc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2c(N)noc12
Show InChI InChI=1S/C22H17F3N4O3/c1-31-17-10-9-16(18-19(17)32-29-20(18)26)12-5-7-14(8-6-12)27-21(30)28-15-4-2-3-13(11-15)22(23,24)25/h2-11H,1H3,(H2,26,29)(H2,27,28,30)
Affinity DataIC50: 11nM EC50:  31nMAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21102(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-chl...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1Cl
Show InChI InChI=1S/C21H17ClN4O2/c1-12-5-8-15(11-17(12)22)25-21(27)24-14-9-6-13(7-10-14)16-3-2-4-18-19(16)20(23)26-28-18/h2-11H,1H3,(H2,23,26)(H2,24,25,27)
Affinity DataIC50: 8nM EC50:  32nMAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21101(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-chl...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1Cl
Show InChI InChI=1S/C21H17ClN4O3/c1-28-17-10-9-14(11-16(17)22)25-21(27)24-13-7-5-12(6-8-13)15-3-2-4-18-19(15)20(23)26-29-18/h2-11H,1H3,(H2,23,26)(H2,24,25,27)
Affinity DataIC50: 8nM EC50:  36nMAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM60665(BDBM50249542 | US9145414, R406 | US9212178, R406)
Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
Affinity DataEC50:  36nMAssay Description:Inhibition of KDR in VEGF-stimulated HUVEC assessed as phosphorylation after 1 hr incubationMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21107(3-[4-(3-amino-7-methyl-1,2-benzoxazol-4-yl)phenyl]...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(C)c3onc(N)c23)c1
Show InChI InChI=1S/C22H19FN4O2/c1-12-3-10-17(23)18(11-12)26-22(28)25-15-7-5-14(6-8-15)16-9-4-13(2)20-19(16)21(24)27-29-20/h3-11H,1-2H3,(H2,24,27)(H2,25,26,28)
Affinity DataIC50: 71nM EC50:  39nMAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21097(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-flu...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1F
Show InChI InChI=1S/C21H17FN4O2/c1-12-5-8-15(11-17(12)22)25-21(27)24-14-9-6-13(7-10-14)16-3-2-4-18-19(16)20(23)26-28-18/h2-11H,1H3,(H2,23,26)(H2,24,25,27)
Affinity DataIC50: 15nM EC50:  40nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21090(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(4-met...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1
Show InChI InChI=1S/C21H18N4O2/c1-13-5-9-15(10-6-13)23-21(26)24-16-11-7-14(8-12-16)17-3-2-4-18-19(17)20(22)25-27-18/h2-12H,1H3,(H2,22,25)(H2,23,24,26)
Affinity DataIC50: 16nM EC50:  44nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM25118((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
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/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)
Affinity DataEC50:  46nMAssay Description:Inhibition of human recombinant VEGFR2More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM50269391(CHEMBL4059790)
Show SMILES COc1cc2ncnc(-n3nc(Nc4ccc(N5CCN(CC5)C5CC6CCC5C6)c(Cl)c4)nc3N)c2cc1OC
Show InChI InChI=1S/C29H34ClN9O2/c1-40-25-14-20-22(15-26(25)41-2)32-16-33-27(20)39-28(31)35-29(36-39)34-19-5-6-23(21(30)13-19)37-7-9-38(10-8-37)24-12-17-3-4-18(24)11-17/h5-6,13-18,24H,3-4,7-12H2,1-2H3,(H3,31,34,35,36)
Affinity DataEC50:  47nMAssay Description:Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins ...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM50269392(CHEMBL4068447)
Show SMILES Cc1csc2c(nc(Cl)nc12)-n1nc(Nc2ccc(cc2)N2CCN(CC2)C2CC3CCC2C3)nc1N
Show InChI InChI=1S/C26H30ClN9S/c1-15-14-37-22-21(15)30-24(27)31-23(22)36-25(28)32-26(33-36)29-18-4-6-19(7-5-18)34-8-10-35(11-9-34)20-13-16-2-3-17(20)12-16/h4-7,14,16-17,20H,2-3,8-13H2,1H3,(H3,28,29,32,33)
Affinity DataEC50:  65nMAssay Description:Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM50269377(CHEMBL4093021)
Show SMILES CC(C)(C)c1cc2ncnc(-n3nc(Nc4ccc(N5CCN(CC5)C5CC6CCC5C6)c(Cl)c4)nc3N)c2s1
Show InChI InChI=1S/C29H36ClN9S/c1-29(2,3)24-15-21-25(40-24)26(33-16-32-21)39-27(31)35-28(36-39)34-19-6-7-22(20(30)14-19)37-8-10-38(11-9-37)23-13-17-4-5-18(23)12-17/h6-7,14-18,23H,4-5,8-13H2,1-3H3,(H3,31,34,35,36)
Affinity DataEC50:  80nMAssay Description:Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins ...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21096(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-[2-flu...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C21H14F4N4O2/c22-15-9-6-12(21(23,24)25)10-16(15)28-20(30)27-13-7-4-11(5-8-13)14-2-1-3-17-18(14)19(26)29-31-17/h1-10H,(H2,26,29)(H2,27,28,30)
Affinity DataIC50: 104nM EC50:  80nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21100(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3,5-d...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4cc(F)cc(F)c4)cc3)c12
Show InChI InChI=1S/C20H14F2N4O2/c21-12-8-13(22)10-15(9-12)25-20(27)24-14-6-4-11(5-7-14)16-2-1-3-17-18(16)19(23)26-28-17/h1-10H,(H2,23,26)(H2,24,25,27)
Affinity DataIC50: 67nM EC50:  81nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM50269387(CHEMBL4067869)
Show SMILES Cc1csc2c(ncnc12)-n1nc(Nc2ccc(N3CCN(CC3)C3CC4CCC3C4)c(F)c2)nc1N
Show InChI InChI=1S/C26H30FN9S/c1-15-13-37-23-22(15)29-14-30-24(23)36-25(28)32-26(33-36)31-18-4-5-20(19(27)12-18)34-6-8-35(9-7-34)21-11-16-2-3-17(21)10-16/h4-5,12-14,16-17,21H,2-3,6-11H2,1H3,(H3,28,31,32,33)
Affinity DataEC50:  90nMAssay Description:Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21098(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-[4-flu...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)c(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C21H14F4N4O2/c22-16-9-8-13(10-15(16)21(23,24)25)28-20(30)27-12-6-4-11(5-7-12)14-2-1-3-17-18(14)19(26)29-31-17/h1-10H,(H2,26,29)(H2,27,28,30)
Affinity DataIC50: 23nM EC50:  94nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM50269388(CHEMBL4083641)
Show SMILES Cc1nc(-n2nc(Nc3ccc(cc3)N3CCN(CC3)C3CC4CCC3C4)nc2N)c2ccccc2n1
Show InChI InChI=1S/C28H33N9/c1-18-30-24-5-3-2-4-23(24)26(31-18)37-27(29)33-28(34-37)32-21-8-10-22(11-9-21)35-12-14-36(15-13-35)25-17-19-6-7-20(25)16-19/h2-5,8-11,19-20,25H,6-7,12-17H2,1H3,(H3,29,32,33,34)
Affinity DataEC50:  104nMAssay Description:Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21092(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(4-met...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1
Show InChI InChI=1S/C21H18N4O3/c1-27-16-11-9-15(10-12-16)24-21(26)23-14-7-5-13(6-8-14)17-3-2-4-18-19(17)20(22)25-28-18/h2-12H,1H3,(H2,22,25)(H2,23,24,26)
Affinity DataIC50: 22nM EC50:  106nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21094(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-[4-(tr...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)c12
Show InChI InChI=1S/C21H15F3N4O3/c22-21(23,24)30-15-10-8-14(9-11-15)27-20(29)26-13-6-4-12(5-7-13)16-2-1-3-17-18(16)19(25)28-31-17/h1-11H,(H2,25,28)(H2,26,27,29)
Affinity DataIC50: 42nM EC50:  123nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM50269394(CHEMBL4095789)
Show SMILES Nc1nc(Nc2ccc(cc2)N2CCN(CC2)C2CC3CCC2C3)nn1-c1ncnc2ccc(F)cc12
Show InChI InChI=1S/C27H30FN9/c28-19-3-8-23-22(15-19)25(31-16-30-23)37-26(29)33-27(34-37)32-20-4-6-21(7-5-20)35-9-11-36(12-10-35)24-14-17-1-2-18(24)13-17/h3-8,15-18,24H,1-2,9-14H2,(H3,29,32,33,34)
Affinity DataEC50:  146nMAssay Description:Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins ...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM50269376(CHEMBL4082743)
Show SMILES Nc1nc(Nc2ccc(N3CCN(CC3)C3CC4CCC3C4)c(Cl)c2)nn1-c1ncnc2sccc12
Show InChI InChI=1S/C25H28ClN9S/c26-19-13-17(30-25-31-24(27)35(32-25)22-18-5-10-36-23(18)29-14-28-22)3-4-20(19)33-6-8-34(9-7-33)21-12-15-1-2-16(21)11-15/h3-5,10,13-16,21H,1-2,6-9,11-12H2,(H3,27,30,31,32)
Affinity DataEC50:  160nMAssay Description:Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins ...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21091(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-[4-(tr...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(cc4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C21H15F3N4O2/c22-21(23,24)13-6-10-15(11-7-13)27-20(29)26-14-8-4-12(5-9-14)16-2-1-3-17-18(16)19(25)28-30-17/h1-11H,(H2,25,28)(H2,26,27,29)
Affinity DataIC50: 32nM EC50:  173nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21109(3-{4-[3-amino-7-(trifluoromethoxy)-1,2-benzoxazol-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(OC(F)(F)F)c3onc(N)c23)c1
Show InChI InChI=1S/C22H16F4N4O3/c1-11-2-8-15(23)16(10-11)29-21(31)28-13-5-3-12(4-6-13)14-7-9-17(32-22(24,25)26)19-18(14)20(27)30-33-19/h2-10H,1H3,(H2,27,30)(H2,28,29,31)
Affinity DataIC50: 158nM EC50:  179nMAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM50269383(CHEMBL4090562)
Show SMILES Nc1nc(Nc2ccc(cc2)N2CCN(CC2)C2CC3CCC2C3)nn1-c1ncnc2ccc(Cl)cc12
Show InChI InChI=1S/C27H30ClN9/c28-19-3-8-23-22(15-19)25(31-16-30-23)37-26(29)33-27(34-37)32-20-4-6-21(7-5-20)35-9-11-36(12-10-35)24-14-17-1-2-18(24)13-17/h3-8,15-18,24H,1-2,9-14H2,(H3,29,32,33,34)
Affinity DataEC50:  196nMAssay Description:Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM6190(3-tert-butyl-1-(2-{[4-(diethylamino)butyl]amino}-6...)
Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)
Affinity DataEC50:  250nMAssay Description:Inhibition of VEGFR2 by cellular assayMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM21081(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(2-flu...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12
Show InChI InChI=1S/C20H15FN4O2/c21-15-5-1-2-6-16(15)24-20(26)23-13-10-8-12(9-11-13)14-4-3-7-17-18(14)19(22)25-27-17/h1-11H,(H2,22,25)(H2,23,24,26)
Affinity DataIC50: 318nM EC50:  497nMpH: 7.5 T: 2°CAssay Description:The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM16673(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
Affinity DataEC50:  500nMAssay Description:Inhibition of KDR by cellular assayMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM50015448(CHEMBL3265032)
Show SMILES C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
Show InChI InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)
Affinity DataEC50: >1.00E+3nMAssay Description:Inhibition of KDR in VEGF-stimulated HUVEC assessed as phosphorylation after 1 hr incubationMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Rigel Pharmaceuticals, Inc

Curated by ChEMBL
LigandPNGBDBM482158(BDBM50242742 | TAE684)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
Affinity DataEC50: >1.00E+3nMAssay Description:Inhibition of KDR by cellular assayMore data for this Ligand-Target Pair
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