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PubMed code 22695126

Compile data set for download or QSAR
Found 98 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389991
PNG
(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
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50389975
PNG
(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
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha by TR-FRET analysis


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50389975
PNG
(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
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Flt3 by TR-FRET analysis


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50381716
PNG
(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)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (human))
BDBM50389975
PNG
(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
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FGFR2 by TR-FRET analysis


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389995
PNG
(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
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389998
PNG
(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
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50389975
PNG
(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
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by TR-FRET analysis


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50381716
PNG
(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)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389988
PNG
(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
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389975
PNG
(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
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by TR-FRET analysis


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389990
PNG
(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
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389993
PNG
(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
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381716
PNG
(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)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389989
PNG
(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
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (human))
BDBM50389975
PNG
(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
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck by TR-FRET analysis


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389988
PNG
(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
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389988
PNG
(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
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389982
PNG
(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
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389994
PNG
(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
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389975
PNG
(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
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389989
PNG
(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
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389995
PNG
(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
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389998
PNG
(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
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389974
PNG
(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
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389975
PNG
(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
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389976
PNG
(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
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389996
PNG
(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
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389973
PNG
(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
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389996
PNG
(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
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389981
PNG
(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)
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n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389992
PNG
(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
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n/an/a 18n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389990
PNG
(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
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n/an/a 19n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389982
PNG
(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
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389983
PNG
(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
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389967
PNG
(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
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n/an/a 19n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389976
PNG
(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
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389992
PNG
(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
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n/an/a 25n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389993
PNG
(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
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n/an/a 26n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389994
PNG
(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
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n/an/a 27n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389974
PNG
(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
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n/an/a 28n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389968
PNG
(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
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n/an/a 29n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389976
PNG
(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
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n/an/a 29n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389983
PNG
(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
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n/an/a 31n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389991
PNG
(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
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n/an/a 32n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389986
PNG
(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
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n/an/a 32n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50389975
PNG
(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
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n/an/a 34n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta by TR-FRET analysis


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389974
PNG
(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
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n/an/a 35n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by TR-FRET analysis


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389975
PNG
(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
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n/an/a 42n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389989
PNG
(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
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n/an/a 42n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389978
PNG
(CHEMBL2071205)
Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@H](C[C@@H]3C(N)=O)C4(C)C)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C19H24F3N7O/c1-18(2)9-4-11(15(23)30)14(12(18)5-9)27-16-13(19(20,21)22)7-24-17(28-16)26-10-6-25-29(3)8-10/h6-9,11-12,14H,4-5H2,1-3H3,(H2,23,30)(H2,24,26,27,28)/t9-,11-,12-,14-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389987
PNG
(CHEMBL2071215)
Show SMILES Cn1cc(Nc2ncc(Cl)c(N[C@@H]3CC[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C13H16ClN7O/c1-21-6-7(4-17-21)18-13-16-5-9(14)12(20-13)19-10-3-2-8(10)11(15)22/h4-6,8,10H,2-3H2,1H3,(H2,15,22)(H2,16,18,19,20)/t8-,10+/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50389975
PNG
(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
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n/an/a 44n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Syk by TR-FRET analysis


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389998
PNG
(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
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389966
PNG
(CHEMBL2071206)
Show SMILES CNC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(C)c2)ncc1C(F)(F)F
Show InChI InChI=1S/C18H20F3N7O/c1-22-16(29)13-9-3-4-10(5-9)14(13)26-15-12(18(19,20)21)7-23-17(27-15)25-11-6-24-28(2)8-11/h3-4,6-10,13-14H,5H2,1-2H3,(H,22,29)(H2,23,25,26,27)/t9-,10+,13+,14-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389990
PNG
(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
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n/an/a 48n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389996
PNG
(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
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n/an/a 49n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389973
PNG
(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
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n/an/a 50n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389979
PNG
(CHEMBL2071207)
Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(=O)NC3CC3)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C20H22F3N7O/c1-30-9-13(7-25-30)27-19-24-8-14(20(21,22)23)17(29-19)28-16-11-3-2-10(6-11)15(16)18(31)26-12-4-5-12/h2-3,7-12,15-16H,4-6H2,1H3,(H,26,31)(H2,24,27,28,29)/t10-,11+,15+,16-/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389967
PNG
(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
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n/an/a 54n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389995
PNG
(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
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n/an/a 55n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389977
PNG
(CHEMBL2071203)
Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(N)=O)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C17H20F3N7O/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/h5-9,12-13H,2-4H2,1H3,(H2,21,28)(H2,22,24,25,26)/t8-,9+,12+,13-/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389997
PNG
(CHEMBL2071204)
Show SMILES Cn1cc(Nc2ncc(c(N[C@H]3C[C@@H]4CC[C@H]3C4)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C16H19F3N6/c1-25-8-11(6-21-25)22-15-20-7-12(16(17,18)19)14(24-15)23-13-5-9-2-3-10(13)4-9/h6-10,13H,2-5H2,1H3,(H2,20,22,23,24)/t9-,10+,13+/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389977
PNG
(CHEMBL2071203)
Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(N)=O)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C17H20F3N7O/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/h5-9,12-13H,2-4H2,1H3,(H2,21,28)(H2,22,24,25,26)/t8-,9+,12+,13-/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389966
PNG
(CHEMBL2071206)
Show SMILES CNC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(C)c2)ncc1C(F)(F)F
Show InChI InChI=1S/C18H20F3N7O/c1-22-16(29)13-9-3-4-10(5-9)14(13)26-15-12(18(19,20)21)7-23-17(27-15)25-11-6-24-28(2)8-11/h3-4,6-10,13-14H,5H2,1-2H3,(H,22,29)(H2,23,25,26,27)/t9-,10+,13+,14-/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389977
PNG
(CHEMBL2071203)
Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(N)=O)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C17H20F3N7O/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/h5-9,12-13H,2-4H2,1H3,(H2,21,28)(H2,22,24,25,26)/t8-,9+,12+,13-/m1/s1
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n/an/a 74n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389994
PNG
(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
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n/an/a 78n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50389975
PNG
(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
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n/an/a 82n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCepsilon by TR-FRET analysis


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389982
PNG
(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
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n/an/a 84n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389993
PNG
(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
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n/an/a 89n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389967
PNG
(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
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n/an/a 95n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389980
PNG
(CHEMBL2071208)
Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(=O)NCCO)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C19H22F3N7O2/c1-29-9-12(7-25-29)26-18-24-8-13(19(20,21)22)16(28-18)27-15-11-3-2-10(6-11)14(15)17(31)23-4-5-30/h2-3,7-11,14-15,30H,4-6H2,1H3,(H,23,31)(H2,24,26,27,28)/t10-,11+,14+,15-/m1/s1
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n/an/a 99n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389984
PNG
(CHEMBL2071212)
Show SMILES Cn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C15H18ClN7O2/c1-23-6-7(4-19-23)20-15-18-5-8(16)14(22-15)21-12-10-3-2-9(25-10)11(12)13(17)24/h4-6,9-12H,2-3H2,1H3,(H2,17,24)(H2,18,20,21,22)/t9-,10+,11-,12+/m0/s1
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n/an/a 118n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389985
PNG
(CHEMBL2071213)
Show SMILES Cn1cc(Nc2ncc(Cl)c(N[C@@H]3CCCC[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C15H20ClN7O/c1-23-8-9(6-19-23)20-15-18-7-11(16)14(22-15)21-12-5-3-2-4-10(12)13(17)24/h6-8,10,12H,2-5H2,1H3,(H2,17,24)(H2,18,20,21,22)/t10-,12+/m0/s1
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n/an/a 135n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389971
PNG
(CHEMBL2071197)
Show SMILES COc1cnc(Nc2cnn(C)c2)nc1N[C@@H]1[C@@H]2C[C@@H](C=C2)[C@@H]1C(N)=O
Show InChI InChI=1S/C17H21N7O2/c1-24-8-11(6-20-24)21-17-19-7-12(26-2)16(23-17)22-14-10-4-3-9(5-10)13(14)15(18)25/h3-4,6-10,13-14H,5H2,1-2H3,(H2,18,25)(H2,19,21,22,23)/t9-,10+,13+,14-/m1/s1
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n/an/a 145n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389987
PNG
(CHEMBL2071215)
Show SMILES Cn1cc(Nc2ncc(Cl)c(N[C@@H]3CC[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C13H16ClN7O/c1-21-6-7(4-17-21)18-13-16-5-9(14)12(20-13)19-10-3-2-8(10)11(15)22/h4-6,8,10H,2-3H2,1H3,(H2,15,22)(H2,16,18,19,20)/t8-,10+/m0/s1
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n/an/a 153n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389992
PNG
(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
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n/an/a 167n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389985
PNG
(CHEMBL2071213)
Show SMILES Cn1cc(Nc2ncc(Cl)c(N[C@@H]3CCCC[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C15H20ClN7O/c1-23-8-9(6-19-23)20-15-18-7-11(16)14(22-15)21-12-5-3-2-4-10(12)13(17)24/h6-8,10,12H,2-5H2,1H3,(H2,17,24)(H2,18,20,21,22)/t10-,12+/m0/s1
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n/an/a 169n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389972
PNG
(CHEMBL2071198)
Show SMILES Cn1cc(Nc2ncc(C(N)=O)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C17H20N8O2/c1-25-7-10(5-21-25)22-17-20-6-11(14(18)26)16(24-17)23-13-9-3-2-8(4-9)12(13)15(19)27/h2-3,5-9,12-13H,4H2,1H3,(H2,18,26)(H2,19,27)(H2,20,22,23,24)/t8-,9+,12+,13-/m1/s1
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n/an/a 197n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389986
PNG
(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
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n/an/a 246n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389970
PNG
(CHEMBL2071196)
Show SMILES Cc1cnc(Nc2cnn(C)c2)nc1N[C@@H]1[C@@H]2C[C@@H](C=C2)[C@@H]1C(N)=O
Show InChI InChI=1S/C17H21N7O/c1-9-6-19-17(21-12-7-20-24(2)8-12)23-16(9)22-14-11-4-3-10(5-11)13(14)15(18)25/h3-4,6-8,10-11,13-14H,5H2,1-2H3,(H2,18,25)(H2,19,21,22,23)/t10-,11+,13+,14-/m1/s1
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n/an/a 252n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389978
PNG
(CHEMBL2071205)
Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@H](C[C@@H]3C(N)=O)C4(C)C)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C19H24F3N7O/c1-18(2)9-4-11(15(23)30)14(12(18)5-9)27-16-13(19(20,21)22)7-24-17(28-16)26-10-6-25-29(3)8-10/h6-9,11-12,14H,4-5H2,1-3H3,(H2,23,30)(H2,24,26,27,28)/t9-,11-,12-,14-/m0/s1
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n/an/a 264n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389980
PNG
(CHEMBL2071208)
Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(=O)NCCO)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C19H22F3N7O2/c1-29-9-12(7-25-29)26-18-24-8-13(19(20,21)22)16(28-18)27-15-11-3-2-10(6-11)14(15)17(31)23-4-5-30/h2-3,7-11,14-15,30H,4-6H2,1H3,(H,23,31)(H2,24,26,27,28)/t10-,11+,14+,15-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389979
PNG
(CHEMBL2071207)
Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(=O)NC3CC3)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C20H22F3N7O/c1-30-9-13(7-25-30)27-19-24-8-14(20(21,22)23)17(29-19)28-16-11-3-2-10(6-11)15(16)18(31)26-12-4-5-12/h2-3,7-12,15-16H,4-6H2,1H3,(H,26,31)(H2,24,27,28,29)/t10-,11+,15+,16-/m1/s1
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n/an/a 292n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389969
PNG
(CHEMBL2071195)
Show SMILES Cn1cc(Nc2nccc(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H19N7O/c1-23-8-11(7-19-23)20-16-18-5-4-12(22-16)21-14-10-3-2-9(6-10)13(14)15(17)24/h2-5,7-10,13-14H,6H2,1H3,(H2,17,24)(H2,18,20,21,22)/t9-,10+,13+,14-/m1/s1
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n/an/a 294n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389966
PNG
(CHEMBL2071206)
Show SMILES CNC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(C)c2)ncc1C(F)(F)F
Show InChI InChI=1S/C18H20F3N7O/c1-22-16(29)13-9-3-4-10(5-9)14(13)26-15-12(18(19,20)21)7-23-17(27-15)25-11-6-24-28(2)8-11/h3-4,6-10,13-14H,5H2,1-2H3,(H,22,29)(H2,23,25,26,27)/t9-,10+,13+,14-/m1/s1
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n/an/a>316n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389973
PNG
(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
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n/an/a>316n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by TR-FRET analysis


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389991
PNG
(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
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389983
PNG
(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
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n/an/a>316n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389968
PNG
(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
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n/an/a 329n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389981
PNG
(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)
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n/an/a 431n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389970
PNG
(CHEMBL2071196)
Show SMILES Cc1cnc(Nc2cnn(C)c2)nc1N[C@@H]1[C@@H]2C[C@@H](C=C2)[C@@H]1C(N)=O
Show InChI InChI=1S/C17H21N7O/c1-9-6-19-17(21-12-7-20-24(2)8-12)23-16(9)22-14-11-4-3-10(5-11)13(14)15(18)25/h3-4,6-8,10-11,13-14H,5H2,1-2H3,(H2,18,25)(H2,19,21,22,23)/t10-,11+,13+,14-/m1/s1
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n/an/a 467n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389984
PNG
(CHEMBL2071212)
Show SMILES Cn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C15H18ClN7O2/c1-23-6-7(4-19-23)20-15-18-5-8(16)14(22-15)21-12-10-3-2-9(25-10)11(12)13(17)24/h4-6,9-12H,2-3H2,1H3,(H2,17,24)(H2,18,20,21,22)/t9-,10+,11-,12+/m0/s1
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n/an/a 693n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389997
PNG
(CHEMBL2071204)
Show SMILES Cn1cc(Nc2ncc(c(N[C@H]3C[C@@H]4CC[C@H]3C4)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C16H19F3N6/c1-25-8-11(6-21-25)22-15-20-7-12(16(17,18)19)14(24-15)23-13-5-9-2-3-10(13)4-9/h6-10,13H,2-5H2,1H3,(H2,20,22,23,24)/t9-,10+,13+/m1/s1
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n/an/a 827n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389971
PNG
(CHEMBL2071197)
Show SMILES COc1cnc(Nc2cnn(C)c2)nc1N[C@@H]1[C@@H]2C[C@@H](C=C2)[C@@H]1C(N)=O
Show InChI InChI=1S/C17H21N7O2/c1-24-8-11(6-20-24)21-17-19-7-12(26-2)16(23-17)22-14-10-4-3-9(5-10)13(14)15(18)25/h3-4,6-10,13-14H,5H2,1-2H3,(H2,18,25)(H2,19,21,22,23)/t9-,10+,13+,14-/m1/s1
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n/an/a 922n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389972
PNG
(CHEMBL2071198)
Show SMILES Cn1cc(Nc2ncc(C(N)=O)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C17H20N8O2/c1-25-7-10(5-21-25)22-17-20-6-11(14(18)26)16(24-17)23-13-9-3-2-8(4-9)12(13)15(19)27/h2-3,5-9,12-13H,4H2,1H3,(H2,18,26)(H2,19,27)(H2,20,22,23,24)/t8-,9+,12+,13-/m1/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50389975
PNG
(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
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n/an/a 2.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Wee1 by TR-FRET analysis


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50389969
PNG
(CHEMBL2071195)
Show SMILES Cn1cc(Nc2nccc(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
Show InChI InChI=1S/C16H19N7O/c1-23-8-11(7-19-23)20-16-18-5-4-12(22-16)21-14-10-3-2-9(6-10)13(14)15(17)24/h2-5,7-10,13-14H,6H2,1H3,(H2,17,24)(H2,18,20,21,22)/t9-,10+,13+,14-/m1/s1
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n/an/a>1.20E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%