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Compile Data Set for Download or QSAR

Found 95 hits Enz. Inhib. hit(s) with all data for entry = 50039652   
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50381719
PNG
(CHEMBL2022856)
Show SMILES C[C@@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1 |r|
Show InChI InChI=1S/C26H23FN6O2S/c1-15(34)12-33-13-17(10-30-33)21-11-29-25(28)23-22(14-36-24(21)23)16-5-7-19(8-6-16)31-26(35)32-20-4-2-3-18(27)9-20/h2-11,13-15,34H,12H2,1H3,(H2,28,29)(H2,31,32,35)/t15-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381713
PNG
(CHEMBL2022853)
Show SMILES CS(=O)(=O)CCn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
Show InChI InChI=1S/C26H23FN6O3S2/c1-38(35,36)10-9-33-14-17(12-30-33)21-13-29-25(28)23-22(15-37-24(21)23)16-5-7-19(8-6-16)31-26(34)32-20-4-2-3-18(27)11-20/h2-8,11-15H,9-10H2,1H3,(H2,28,29)(H2,31,32,34)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381693
PNG
(CHEMBL2023221)
Show SMILES CNC(=O)c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C23H21N5O2S/c1-13-4-3-5-16(10-13)28-23(30)27-15-8-6-14(7-9-15)18-12-31-20-17(22(29)25-2)11-26-21(24)19(18)20/h3-12H,1-2H3,(H2,24,26)(H,25,29)(H2,27,28,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381696
PNG
(CHEMBL2021941)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cc[nH]c2)c1
Show InChI InChI=1S/C25H21N5OS/c1-15-3-2-4-19(11-15)30-25(31)29-18-7-5-16(6-8-18)21-14-32-23-20(17-9-10-27-12-17)13-28-24(26)22(21)23/h2-14,27H,1H3,(H2,26,28)(H2,29,30,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381699
PNG
(CHEMBL2023225)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1csc2c(cnc(N)c12)-c1cnn(C)c1
Show InChI InChI=1S/C25H22N6OS/c1-15-5-3-4-6-21(15)30-25(32)29-18-9-7-16(8-10-18)20-14-33-23-19(12-27-24(26)22(20)23)17-11-28-31(2)13-17/h3-14H,1-2H3,(H2,26,27)(H2,29,30,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381693
PNG
(CHEMBL2023221)
Show SMILES CNC(=O)c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C23H21N5O2S/c1-13-4-3-5-16(10-13)28-23(30)27-15-8-6-14(7-9-15)18-12-31-20-17(22(29)25-2)11-26-21(24)19(18)20/h3-12H,1-2H3,(H2,24,26)(H,25,29)(H2,27,28,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381698
PNG
(CHEMBL1969102 | US8722890, 6)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C24H20N6OS/c1-14-3-2-4-18(9-14)30-24(31)29-17-7-5-15(6-8-17)20-13-32-22-19(16-10-27-28-11-16)12-26-23(25)21(20)22/h2-13H,1H3,(H2,25,26)(H,27,28)(H2,29,30,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381709
PNG
(CHEMBL2022850)
Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(c2)C(N)=O)cc1
Show InChI InChI=1S/C25H21N7O2S/c1-32-12-16(10-29-32)19-11-28-23(26)21-20(13-35-22(19)21)14-5-7-17(8-6-14)30-25(34)31-18-4-2-3-15(9-18)24(27)33/h2-13H,1H3,(H2,26,28)(H2,27,33)(H2,30,31,34)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381717
PNG
(CHEMBL2022857)
Show SMILES Nc1ncc(-c2cnn(CCCN3CC[C@@H](O)C3)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 |r|
Show InChI InChI=1S/C30H30FN7O2S/c31-21-3-1-4-23(13-21)36-30(40)35-22-7-5-19(6-8-22)26-18-41-28-25(15-33-29(32)27(26)28)20-14-34-38(16-20)11-2-10-37-12-9-24(39)17-37/h1,3-8,13-16,18,24,39H,2,9-12,17H2,(H2,32,33)(H2,35,36,40)/t24-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
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 by TR-FRET assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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 phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381717
PNG
(CHEMBL2022857)
Show SMILES Nc1ncc(-c2cnn(CCCN3CC[C@@H](O)C3)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 |r|
Show InChI InChI=1S/C30H30FN7O2S/c31-21-3-1-4-23(13-21)36-30(40)35-22-7-5-19(6-8-22)26-18-41-28-25(15-33-29(32)27(26)28)20-14-34-38(16-20)11-2-10-37-12-9-24(39)17-37/h1,3-8,13-16,18,24,39H,2,9-12,17H2,(H2,32,33)(H2,35,36,40)/t24-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381702
PNG
(CHEMBL2023227)
Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C24H19FN6OS/c1-31-12-15(10-28-31)17-11-27-23(26)21-18(13-33-22(17)21)14-6-8-16(9-7-14)29-24(32)30-20-5-3-2-4-19(20)25/h2-13H,1H3,(H2,26,27)(H2,29,30,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381719
PNG
(CHEMBL2022856)
Show SMILES C[C@@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1 |r|
Show InChI InChI=1S/C26H23FN6O2S/c1-15(34)12-33-13-17(10-30-33)21-11-29-25(28)23-22(14-36-24(21)23)16-5-7-19(8-6-16)31-26(35)32-20-4-2-3-18(27)9-20/h2-11,13-15,34H,12H2,1H3,(H2,28,29)(H2,31,32,35)/t15-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381697
PNG
(CHEMBL2023224)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cc[nH]n2)c1
Show InChI InChI=1S/C24H20N6OS/c1-14-3-2-4-17(11-14)29-24(31)28-16-7-5-15(6-8-16)19-13-32-22-18(20-9-10-27-30-20)12-26-23(25)21(19)22/h2-13H,1H3,(H2,25,26)(H,27,30)(H2,28,29,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381708
PNG
(CHEMBL2023232)
Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C25H19F3N6O2S/c1-34-12-15(10-31-34)19-11-30-23(29)21-20(13-37-22(19)21)14-2-4-16(5-3-14)32-24(35)33-17-6-8-18(9-7-17)36-25(26,27)28/h2-13H,1H3,(H2,29,30)(H2,32,33,35)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381703
PNG
(CHEMBL1970317)
Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
Show InChI InChI=1S/C24H19FN6OS/c1-31-12-15(10-28-31)19-11-27-23(26)21-20(13-33-22(19)21)14-5-7-17(8-6-14)29-24(32)30-18-4-2-3-16(25)9-18/h2-13H,1H3,(H2,26,27)(H2,29,30,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(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 LCK by TR-FRET assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381718
PNG
(CHEMBL1967116)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C)c2)c1
Show InChI InChI=1S/C25H22N6OS/c1-15-4-3-5-19(10-15)30-25(32)29-18-8-6-16(7-9-18)21-14-33-23-20(12-27-24(26)22(21)23)17-11-28-31(2)13-17/h3-14H,1-2H3,(H2,26,27)(H2,29,30,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(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 PDGFRbeta by TR-FRET assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381701
PNG
(CHEMBL2023226)
Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C24H20N6OS/c1-30-13-16(11-27-30)19-12-26-23(25)21-20(14-32-22(19)21)15-7-9-18(10-8-15)29-24(31)28-17-5-3-2-4-6-17/h2-14H,1H3,(H2,25,26)(H2,28,29,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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 TR-FRET assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381714
PNG
(CHEMBL2022854)
Show SMILES Nc1ncc(-c2cnn(CCN3CCCCC3)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C30H30FN7OS/c31-22-5-4-6-24(15-22)36-30(39)35-23-9-7-20(8-10-23)26-19-40-28-25(17-33-29(32)27(26)28)21-16-34-38(18-21)14-13-37-11-2-1-3-12-37/h4-10,15-19H,1-3,11-14H2,(H2,32,33)(H2,35,36,39)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381696
PNG
(CHEMBL2021941)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cc[nH]c2)c1
Show InChI InChI=1S/C25H21N5OS/c1-15-3-2-4-19(11-15)30-25(31)29-18-7-5-16(6-8-18)21-14-32-23-20(17-9-10-27-12-17)13-28-24(26)22(21)23/h2-14,27H,1H3,(H2,26,28)(H2,29,30,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381715
PNG
(CHEMBL2022855)
Show SMILES CN1CCC(C1=O)n1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
Show InChI InChI=1S/C28H24FN7O2S/c1-35-10-9-23(27(35)37)36-14-17(12-32-36)21-13-31-26(30)24-22(15-39-25(21)24)16-5-7-19(8-6-16)33-28(38)34-20-4-2-3-18(29)11-20/h2-8,11-15,23H,9-10H2,1H3,(H2,30,31)(H2,33,34,38)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381700
PNG
(CHEMBL1982466)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C25H22N6OS/c1-15-3-7-18(8-4-15)29-25(32)30-19-9-5-16(6-10-19)21-14-33-23-20(12-27-24(26)22(21)23)17-11-28-31(2)13-17/h3-14H,1-2H3,(H2,26,27)(H2,29,30,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381691
PNG
(CHEMBL2023220)
Show SMILES CNC(=O)\C=C\c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C25H23N5O2S/c1-15-4-3-5-19(12-15)30-25(32)29-18-9-6-16(7-10-18)20-14-33-23-17(8-11-21(31)27-2)13-28-24(26)22(20)23/h3-14H,1-2H3,(H2,26,28)(H,27,31)(H2,29,30,32)/b11-8+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381701
PNG
(CHEMBL2023226)
Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C24H20N6OS/c1-30-13-16(11-27-30)19-12-26-23(25)21-20(14-32-22(19)21)15-7-9-18(10-8-15)29-24(31)28-17-5-3-2-4-6-17/h2-14H,1H3,(H2,25,26)(H2,28,29,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381697
PNG
(CHEMBL2023224)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cc[nH]n2)c1
Show InChI InChI=1S/C24H20N6OS/c1-14-3-2-4-17(11-14)29-24(31)28-16-7-5-15(6-8-16)19-13-32-22-18(20-9-10-27-30-20)12-26-23(25)21(19)22/h2-13H,1H3,(H2,25,26)(H,27,30)(H2,28,29,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381715
PNG
(CHEMBL2022855)
Show SMILES CN1CCC(C1=O)n1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
Show InChI InChI=1S/C28H24FN7O2S/c1-35-10-9-23(27(35)37)36-14-17(12-32-36)21-13-31-26(30)24-22(15-39-25(21)24)16-5-7-19(8-6-16)33-28(38)34-20-4-2-3-18(29)11-20/h2-8,11-15,23H,9-10H2,1H3,(H2,30,31)(H2,33,34,38)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381707
PNG
(CHEMBL2023231)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C25H22N6O2S/c1-31-13-16(11-28-31)20-12-27-24(26)22-21(14-34-23(20)22)15-3-5-17(6-4-15)29-25(32)30-18-7-9-19(33-2)10-8-18/h3-14H,1-2H3,(H2,26,27)(H2,29,30,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381706
PNG
(CHEMBL2023230)
Show SMILES COc1ccccc1NC(=O)Nc1ccc(cc1)-c1csc2c(cnc(N)c12)-c1cnn(C)c1
Show InChI InChI=1S/C25H22N6O2S/c1-31-13-16(11-28-31)18-12-27-24(26)22-19(14-34-23(18)22)15-7-9-17(10-8-15)29-25(32)30-20-5-3-4-6-21(20)33-2/h3-14H,1-2H3,(H2,26,27)(H2,29,30,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381692
PNG
(CHEMBL1979883)
Show SMILES CN(C)CC#Cc1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C26H25N5OS/c1-17-6-4-8-21(14-17)30-26(32)29-20-11-9-18(10-12-20)22-16-33-24-19(7-5-13-31(2)3)15-28-25(27)23(22)24/h4,6,8-12,14-16H,13H2,1-3H3,(H2,27,28)(H2,29,30,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(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 RET by TR-FRET assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
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 using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381704
PNG
(CHEMBL2023228)
Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C24H19ClN6OS/c1-31-12-15(10-28-31)19-11-27-23(26)21-20(13-33-22(19)21)14-5-7-17(8-6-14)29-24(32)30-18-4-2-3-16(25)9-18/h2-13H,1H3,(H2,26,27)(H2,29,30,32)
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381714
PNG
(CHEMBL2022854)
Show SMILES Nc1ncc(-c2cnn(CCN3CCCCC3)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C30H30FN7OS/c31-22-5-4-6-24(15-22)36-30(39)35-23-9-7-20(8-10-23)26-19-40-28-25(17-33-29(32)27(26)28)21-16-34-38(18-21)14-13-37-11-2-1-3-12-37/h4-10,15-19H,1-3,11-14H2,(H2,32,33)(H2,35,36,39)
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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 using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381699
PNG
(CHEMBL2023225)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1csc2c(cnc(N)c12)-c1cnn(C)c1
Show InChI InChI=1S/C25H22N6OS/c1-15-5-3-4-6-21(15)30-25(32)29-18-9-7-16(8-10-18)20-14-33-23-19(12-27-24(26)22(20)23)17-11-28-31(2)13-17/h3-14H,1-2H3,(H2,26,27)(H2,29,30,32)
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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 using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381698
PNG
(CHEMBL1969102 | US8722890, 6)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C24H20N6OS/c1-14-3-2-4-18(9-14)30-24(31)29-17-7-5-15(6-8-17)20-13-32-22-19(16-10-27-28-11-16)12-26-23(25)21(20)22/h2-13H,1H3,(H2,25,26)(H,27,28)(H2,29,30,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381694
PNG
(CHEMBL2023222)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2ccoc2)c1
Show InChI InChI=1S/C25H20N4O2S/c1-15-3-2-4-19(11-15)29-25(30)28-18-7-5-16(6-8-18)21-14-32-23-20(17-9-10-31-13-17)12-27-24(26)22(21)23/h2-14H,1H3,(H2,26,27)(H2,28,29,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381705
PNG
(CHEMBL2023229)
Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H19ClN6OS/c1-31-12-15(10-28-31)19-11-27-23(26)21-20(13-33-22(19)21)14-2-6-17(7-3-14)29-24(32)30-18-8-4-16(25)5-9-18/h2-13H,1H3,(H2,26,27)(H2,29,30,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381692
PNG
(CHEMBL1979883)
Show SMILES CN(C)CC#Cc1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C26H25N5OS/c1-17-6-4-8-21(14-17)30-26(32)29-20-11-9-18(10-12-20)22-16-33-24-19(7-5-13-31(2)3)15-28-25(27)23(22)24/h4,6,8-12,14-16H,13H2,1-3H3,(H2,27,28)(H2,29,30,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50201307
PNG
(1-(4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-m...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ccnc(N)c23)c1
Show InChI InChI=1S/C21H18N4OS/c1-13-3-2-4-16(11-13)25-21(26)24-15-7-5-14(6-8-15)17-12-27-18-9-10-23-20(22)19(17)18/h2-12H,1H3,(H2,22,23)(H2,24,25,26)
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381703
PNG
(CHEMBL1970317)
Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
Show InChI InChI=1S/C24H19FN6OS/c1-31-12-15(10-28-31)19-11-27-23(26)21-20(13-33-22(19)21)14-5-7-17(8-6-14)29-24(32)30-18-4-2-3-16(25)9-18/h2-13H,1H3,(H2,26,27)(H2,29,30,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381695
PNG
(CHEMBL2023223)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2ccsc2)c1
Show InChI InChI=1S/C25H20N4OS2/c1-15-3-2-4-19(11-15)29-25(30)28-18-7-5-16(6-8-18)21-14-32-23-20(17-9-10-31-13-17)12-27-24(26)22(21)23/h2-14H,1H3,(H2,26,27)(H2,28,29,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381692
PNG
(CHEMBL1979883)
Show SMILES CN(C)CC#Cc1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C26H25N5OS/c1-17-6-4-8-21(14-17)30-26(32)29-20-11-9-18(10-12-20)22-16-33-24-19(7-5-13-31(2)3)15-28-25(27)23(22)24/h4,6,8-12,14-16H,13H2,1-3H3,(H2,27,28)(H2,29,30,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381713
PNG
(CHEMBL2022853)
Show SMILES CS(=O)(=O)CCn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
Show InChI InChI=1S/C26H23FN6O3S2/c1-38(35,36)10-9-33-14-17(12-30-33)21-13-29-25(28)23-22(15-37-24(21)23)16-5-7-19(8-6-16)31-26(34)32-20-4-2-3-18(27)11-20/h2-8,11-15H,9-10H2,1H3,(H2,28,29)(H2,31,32,34)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(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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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ABL by TR-FRET assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Aurora kinase A


(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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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by TR-FRET assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381693
PNG
(CHEMBL2023221)
Show SMILES CNC(=O)c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C23H21N5O2S/c1-13-4-3-5-16(10-13)28-23(30)27-15-8-6-14(7-9-15)18-12-31-20-17(22(29)25-2)11-26-21(24)19(18)20/h3-12H,1-2H3,(H2,24,26)(H,25,29)(H2,27,28,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
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