Compile Data Set for Download or QSAR
Found 98 Enz. Inhib. hit(s) with all data for entry = 50040152
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389975(CHEMBL2071201)
Show SMILES Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H18BrN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 1nMAssay Description:Inhibition of Flt3 by TR-FRET analysisMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389991(CHEMBL2071271)
Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(CC(O)=O)c2)ncc1Cl
Show InChI InChI=1S/C17H18ClN7O3/c18-11-5-20-17(22-10-4-21-25(6-10)7-12(26)27)24-16(11)23-14-9-2-1-8(3-9)13(14)15(19)28/h1-2,4-6,8-9,13-14H,3,7H2,(H2,19,28)(H,26,27)(H2,20,22,23,24)/t8-,9+,13+,14-/m1/s1
Affinity DataIC50: 1nMAssay Description:Inhibition of KDR by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetPlatelet-derived growth factor receptor alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389975(CHEMBL2071201)
Show SMILES Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H18BrN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 1nMAssay Description:Inhibition of PDGFRalpha by TR-FRET analysisMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50381716(ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...)
Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)
Affinity DataIC50: 2nMAssay Description:Inhibition of KDR by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389998(CHEMBL2071276)
Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(c2)[C@@H]2CCCNC2)ncc1Cl
Show InChI InChI=1S/C20H25ClN8O/c21-15-9-24-20(26-13-7-25-29(10-13)14-2-1-5-23-8-14)28-19(15)27-17-12-4-3-11(6-12)16(17)18(22)30/h3-4,7,9-12,14,16-17,23H,1-2,5-6,8H2,(H2,22,30)(H2,24,26,27,28)/t11-,12+,14-,16+,17-/m1/s1
Affinity DataIC50: 2nMAssay Description:Inhibition of KDR by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetFibroblast growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389975(CHEMBL2071201)
Show SMILES Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H18BrN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 2nMAssay Description:Inhibition of FGFR2 by TR-FRET analysisMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389995(CHEMBL2071275)
Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(c2)C2CCNCC2)ncc1Cl
Show InChI InChI=1S/C20H25ClN8O/c21-15-9-24-20(26-13-8-25-29(10-13)14-3-5-23-6-4-14)28-19(15)27-17-12-2-1-11(7-12)16(17)18(22)30/h1-2,8-12,14,16-17,23H,3-7H2,(H2,22,30)(H2,24,26,27,28)/t11-,12+,16+,17-/m1/s1
Affinity DataIC50: 2nMAssay Description:Inhibition of KDR by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50381716(ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...)
Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)
Affinity DataIC50: 3nMAssay Description:Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cellsMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389988(CHEMBL2071216)
Show SMILES CCn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C17H20ClN7O/c1-2-25-8-11(6-21-25)22-17-20-7-12(18)16(24-17)23-14-10-4-3-9(5-10)13(14)15(19)26/h3-4,6-10,13-14H,2,5H2,1H3,(H2,19,26)(H2,20,22,23,24)/t9-,10+,13+,14-/m1/s1
Affinity DataIC50: 3nMAssay Description:Inhibition of KDR by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389975(CHEMBL2071201)
Show SMILES Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H18BrN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 3nMAssay Description:Inhibition of Aurora A by TR-FRET analysisMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389990(CHEMBL2071270)
Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(CCO)c2)ncc1Cl
Show InChI InChI=1S/C17H20ClN7O2/c18-12-7-20-17(22-11-6-21-25(8-11)3-4-26)24-16(12)23-14-10-2-1-9(5-10)13(14)15(19)27/h1-2,6-10,13-14,26H,3-5H2,(H2,19,27)(H2,20,22,23,24)/t9-,10+,13+,14-/m1/s1
Affinity DataIC50: 6nMAssay Description:Inhibition of KDR by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389975(CHEMBL2071201)
Show SMILES Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H18BrN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 6nMAssay Description:Inhibition of KDR by TR-FRET analysisMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389993(CHEMBL2071273)
Show SMILES CNC(=O)Cn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C18H21ClN8O2/c1-21-13(28)8-27-7-11(5-23-27)24-18-22-6-12(19)17(26-18)25-15-10-3-2-9(4-10)14(15)16(20)29/h2-3,5-7,9-10,14-15H,4,8H2,1H3,(H2,20,29)(H,21,28)(H2,22,24,25,26)/t9-,10+,14+,15-/m1/s1
Affinity DataIC50: 6nMAssay Description:Inhibition of KDR by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389975(CHEMBL2071201)
Show SMILES Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H18BrN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 7nMAssay Description:Inhibition of Lck by TR-FRET analysisMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50381716(ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...)
Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)
Affinity DataIC50: 7nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389989(CHEMBL2071217)
Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(Cc3ccccc3)c2)ncc1Cl
Show InChI InChI=1S/C22H22ClN7O/c23-17-10-25-22(27-16-9-26-30(12-16)11-13-4-2-1-3-5-13)29-21(17)28-19-15-7-6-14(8-15)18(19)20(24)31/h1-7,9-10,12,14-15,18-19H,8,11H2,(H2,24,31)(H2,25,27,28,29)/t14-,15+,18+,19-/m1/s1
Affinity DataIC50: 7nMAssay Description:Inhibition of KDR by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389982(CHEMBL2071210)
Show SMILES Cn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H20ClN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h5-9,12-13H,2-4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 8nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389988(CHEMBL2071216)
Show SMILES CCn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C17H20ClN7O/c1-2-25-8-11(6-21-25)22-17-20-7-12(18)16(24-17)23-14-10-4-3-9(5-10)13(14)15(19)26/h3-4,6-10,13-14H,2,5H2,1H3,(H2,19,26)(H2,20,22,23,24)/t9-,10+,13+,14-/m1/s1
Affinity DataIC50: 8nMAssay Description:Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cellsMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389988(CHEMBL2071216)
Show SMILES CCn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C17H20ClN7O/c1-2-25-8-11(6-21-25)22-17-20-7-12(18)16(24-17)23-14-10-4-3-9(5-10)13(14)15(19)26/h3-4,6-10,13-14H,2,5H2,1H3,(H2,19,26)(H2,20,22,23,24)/t9-,10+,13+,14-/m1/s1
Affinity DataIC50: 8nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389994(CHEMBL2071274)
Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1Cl
Show InChI InChI=1S/C21H27ClN8O2/c22-16-11-24-21(26-15-10-25-30(12-15)4-3-29-5-7-32-8-6-29)28-20(16)27-18-14-2-1-13(9-14)17(18)19(23)31/h1-2,10-14,17-18H,3-9H2,(H2,23,31)(H2,24,26,27,28)/t13-,14+,17+,18-/m1/s1
Affinity DataIC50: 9nMAssay Description:Inhibition of KDR by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389975(CHEMBL2071201)
Show SMILES Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H18BrN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 9nMAssay Description:Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cellsMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389995(CHEMBL2071275)
Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(c2)C2CCNCC2)ncc1Cl
Show InChI InChI=1S/C20H25ClN8O/c21-15-9-24-20(26-13-8-25-29(10-13)14-3-5-23-6-4-14)28-19(15)27-17-12-2-1-11(7-12)16(17)18(22)30/h1-2,8-12,14,16-17,23H,3-7H2,(H2,22,30)(H2,24,26,27,28)/t11-,12+,16+,17-/m1/s1
Affinity DataIC50: 12nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389998(CHEMBL2071276)
Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(c2)[C@@H]2CCCNC2)ncc1Cl
Show InChI InChI=1S/C20H25ClN8O/c21-15-9-24-20(26-13-7-25-29(10-13)14-2-1-5-23-8-14)28-19(15)27-17-12-4-3-11(6-12)16(17)18(22)30/h3-4,7,9-12,14,16-17,23H,1-2,5-6,8H2,(H2,22,30)(H2,24,26,27,28)/t11-,12+,14-,16+,17-/m1/s1
Affinity DataIC50: 12nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389989(CHEMBL2071217)
Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(Cc3ccccc3)c2)ncc1Cl
Show InChI InChI=1S/C22H22ClN7O/c23-17-10-25-22(27-16-9-26-30(12-16)11-13-4-2-1-3-5-13)29-21(17)28-19-15-7-6-14(8-15)18(19)20(24)31/h1-7,9-10,12,14-15,18-19H,8,11H2,(H2,24,31)(H2,25,27,28,29)/t14-,15+,18+,19-/m1/s1
Affinity DataIC50: 12nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389974(CHEMBL2071200)
Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C17H18F3N7O/c1-27-7-10(5-23-27)24-16-22-6-11(17(18,19)20)15(26-16)25-13-9-3-2-8(4-9)12(13)14(21)28/h2-3,5-9,12-13H,4H2,1H3,(H2,21,28)(H2,22,24,25,26)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 12nMAssay Description:Inhibition of KDR by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389975(CHEMBL2071201)
Show SMILES Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H18BrN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 13nMAssay Description:Inhibition of KDR by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389976(CHEMBL2071202)
Show SMILES Cn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H18ClN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 14nMAssay Description:Inhibition of KDR by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389996(CHEMBL2071277)
Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(C[C@H]3CCCN3)c2)ncc1Cl
Show InChI InChI=1S/C20H25ClN8O/c21-15-8-24-20(26-14-7-25-29(10-14)9-13-2-1-5-23-13)28-19(15)27-17-12-4-3-11(6-12)16(17)18(22)30/h3-4,7-8,10-13,16-17,23H,1-2,5-6,9H2,(H2,22,30)(H2,24,26,27,28)/t11-,12+,13-,16+,17-/m1/s1
Affinity DataIC50: 15nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389996(CHEMBL2071277)
Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(C[C@H]3CCCN3)c2)ncc1Cl
Show InChI InChI=1S/C20H25ClN8O/c21-15-8-24-20(26-14-7-25-29(10-14)9-13-2-1-5-23-13)28-19(15)27-17-12-4-3-11(6-12)16(17)18(22)30/h3-4,7-8,10-13,16-17,23H,1-2,5-6,9H2,(H2,22,30)(H2,24,26,27,28)/t11-,12+,13-,16+,17-/m1/s1
Affinity DataIC50: 15nMAssay Description:Inhibition of KDR by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389973(CHEMBL2071199)
Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)[N+]([O-])=O)cn1
Show InChI InChI=1S/C16H18N8O3/c1-23-7-10(5-19-23)20-16-18-6-11(24(26)27)15(22-16)21-13-9-3-2-8(4-9)12(13)14(17)25/h2-3,5-9,12-13H,4H2,1H3,(H2,17,25)(H2,18,20,21,22)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 15nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389981(CHEMBL2071209)
Show SMILES Cn1cc(Nc2ncc(c(Nc3ccccc3C(N)=O)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C16H14F3N7O/c1-26-8-9(6-22-26)23-15-21-7-11(16(17,18)19)14(25-15)24-12-5-3-2-4-10(12)13(20)27/h2-8H,1H3,(H2,20,27)(H2,21,23,24,25)
Affinity DataIC50: 16nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389992(CHEMBL2071272)
Show SMILES NC(=O)Cn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C17H19ClN8O2/c18-11-5-21-17(23-10-4-22-26(6-10)7-12(19)27)25-16(11)24-14-9-2-1-8(3-9)13(14)15(20)28/h1-2,4-6,8-9,13-14H,3,7H2,(H2,19,27)(H2,20,28)(H2,21,23,24,25)/t8-,9+,13+,14-/m1/s1
Affinity DataIC50: 18nMAssay Description:Inhibition of KDR by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389983(CHEMBL2071211)
Show SMILES Cn1cc(Nc2ncc(Cl)c(N[C@H]3[C@H]4CC[C@H](C4)[C@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H20ClN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h5-9,12-13H,2-4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12-,13+/m1/s1
Affinity DataIC50: 19nMAssay Description:Inhibition of KDR by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389990(CHEMBL2071270)
Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(CCO)c2)ncc1Cl
Show InChI InChI=1S/C17H20ClN7O2/c18-12-7-20-17(22-11-6-21-25(8-11)3-4-26)24-16(12)23-14-10-2-1-9(5-10)13(14)15(19)27/h1-2,6-10,13-14,26H,3-5H2,(H2,19,27)(H2,20,22,23,24)/t9-,10+,13+,14-/m1/s1
Affinity DataIC50: 19nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389982(CHEMBL2071210)
Show SMILES Cn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H20ClN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h5-9,12-13H,2-4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 19nMAssay Description:Inhibition of KDR by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389967(Aminopyrimidine (Scaffold VI) | CHEMBL1614709)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cc1C
Show InChI InChI=1S/C24H30FN7O/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)/t15-,16+,20+,21-/m1/s1
Affinity DataIC50: 19nMAssay Description:Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cellsMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389976(CHEMBL2071202)
Show SMILES Cn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H18ClN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 20nMAssay Description:Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cellsMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389992(CHEMBL2071272)
Show SMILES NC(=O)Cn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C17H19ClN8O2/c18-11-5-21-17(23-10-4-22-26(6-10)7-12(19)27)25-16(11)24-14-9-2-1-8(3-9)13(14)15(20)28/h1-2,4-6,8-9,13-14H,3,7H2,(H2,19,27)(H2,20,28)(H2,21,23,24,25)/t8-,9+,13+,14-/m1/s1
Affinity DataIC50: 25nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389993(CHEMBL2071273)
Show SMILES CNC(=O)Cn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C18H21ClN8O2/c1-21-13(28)8-27-7-11(5-23-27)24-18-22-6-12(19)17(26-18)25-15-10-3-2-9(4-10)14(15)16(20)29/h2-3,5-7,9-10,14-15H,4,8H2,1H3,(H2,20,29)(H,21,28)(H2,22,24,25,26)/t9-,10+,14+,15-/m1/s1
Affinity DataIC50: 26nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389994(CHEMBL2071274)
Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1Cl
Show InChI InChI=1S/C21H27ClN8O2/c22-16-11-24-21(26-15-10-25-30(12-15)4-3-29-5-7-32-8-6-29)28-20(16)27-18-14-2-1-13(9-14)17(18)19(23)31/h1-2,10-14,17-18H,3-9H2,(H2,23,31)(H2,24,26,27,28)/t13-,14+,17+,18-/m1/s1
Affinity DataIC50: 27nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389974(CHEMBL2071200)
Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C17H18F3N7O/c1-27-7-10(5-23-27)24-16-22-6-11(17(18,19)20)15(26-16)25-13-9-3-2-8(4-9)12(13)14(21)28/h2-3,5-9,12-13H,4H2,1H3,(H2,21,28)(H2,22,24,25,26)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 28nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389968(CHEMBL2071194)
Show SMILES Cn1cc(Nc2ncc(F)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H18FN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 29nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389976(CHEMBL2071202)
Show SMILES Cn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H18ClN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 29nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389983(CHEMBL2071211)
Show SMILES Cn1cc(Nc2ncc(Cl)c(N[C@H]3[C@H]4CC[C@H](C4)[C@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H20ClN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h5-9,12-13H,2-4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12-,13+/m1/s1
Affinity DataIC50: 31nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389991(CHEMBL2071271)
Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(CC(O)=O)c2)ncc1Cl
Show InChI InChI=1S/C17H18ClN7O3/c18-11-5-20-17(22-10-4-21-25(6-10)7-12(26)27)24-16(11)23-14-9-2-1-8(3-9)13(14)15(19)28/h1-2,4-6,8-9,13-14H,3,7H2,(H2,19,28)(H,26,27)(H2,20,22,23,24)/t8-,9+,13+,14-/m1/s1
Affinity DataIC50: 32nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389986(CHEMBL2071214)
Show SMILES Cn1cc(Nc2ncc(Cl)c(N[C@@H]3CCC[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C14H18ClN7O/c1-22-7-8(5-18-22)19-14-17-6-10(15)13(21-14)20-11-4-2-3-9(11)12(16)23/h5-7,9,11H,2-4H2,1H3,(H2,16,23)(H2,17,19,20,21)/t9-,11+/m0/s1
Affinity DataIC50: 32nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389975(CHEMBL2071201)
Show SMILES Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H18BrN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 34nMAssay Description:Inhibition of GSK3beta by TR-FRET analysisMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389974(CHEMBL2071200)
Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C17H18F3N7O/c1-27-7-10(5-23-27)24-16-22-6-11(17(18,19)20)15(26-16)25-13-9-3-2-8(4-9)12(13)14(21)28/h2-3,5-9,12-13H,4H2,1H3,(H2,21,28)(H2,22,24,25,26)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 35nMAssay Description:Inhibition of KDR by TR-FRET analysisMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389989(CHEMBL2071217)
Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(Cc3ccccc3)c2)ncc1Cl
Show InChI InChI=1S/C22H22ClN7O/c23-17-10-25-22(27-16-9-26-30(12-16)11-13-4-2-1-3-5-13)29-21(17)28-19-15-7-6-14(8-15)18(19)20(24)31/h1-7,9-10,12,14-15,18-19H,8,11H2,(H2,24,31)(H2,25,27,28,29)/t14-,15+,18+,19-/m1/s1
Affinity DataIC50: 42nMAssay Description:Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cellsMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50389975(CHEMBL2071201)
Show SMILES Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H18BrN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1
Affinity DataIC50: 42nMAssay Description:Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATPMore data for this Ligand-Target Pair
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