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Compile Data Set for Download or QSAR

Found 133 hits Enz. Inhib. hit(s) with all data for entry = 50038404   
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))
BDBM50375996
PNG
(CHEMBL272250)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1C(N)=O
Show InChI InChI=1S/C25H21N3O4/c1-31-23-13-21-19(12-20(23)24(26)29)22(9-10-27-21)32-16-7-8-17-14(11-16)3-2-4-18(17)25(30)28-15-5-6-15/h2-4,7-13,15H,5-6H2,1H3,(H2,26,29)(H,28,30)
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n/an/a 0.370n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50375999
PNG
(CHEMBL270342)
Show SMILES COc1ccc2c(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)ccnc2c1
Show InChI InChI=1S/C24H20N2O3/c1-28-17-7-10-21-22(14-17)25-12-11-23(21)29-18-8-9-19-15(13-18)3-2-4-20(19)24(27)26-16-5-6-16/h2-4,7-14,16H,5-6H2,1H3,(H,26,27)
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n/an/a 0.450n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50236362
PNG
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32)
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n/an/a 0.480n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50236856
PNG
(CHEMBL272198 | N-cyclopropyl-6-(6,7-dimethoxyquino...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1OC
Show InChI InChI=1S/C25H22N2O4/c1-29-23-13-20-21(14-24(23)30-2)26-11-10-22(20)31-17-8-9-18-15(12-17)4-3-5-19(18)25(28)27-16-6-7-16/h3-5,8-14,16H,6-7H2,1-2H3,(H,27,28)
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n/an/a 0.600n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376003
PNG
(CHEMBL271984)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H18N2O4/c1-26-20-11-17-18(12-21(20)27-2)24-9-8-19(17)28-14-6-7-15-13(10-14)4-3-5-16(15)22(23)25/h3-12H,1-2H3,(H2,23,25)
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n/an/a 0.900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50375997
PNG
(CHEMBL272252)
Show SMILES COc1ccc2c(Oc3ccc4c(cccc4c3)C(N)=O)ccnc2c1
Show InChI InChI=1S/C21H16N2O3/c1-25-14-5-8-18-19(12-14)23-10-9-20(18)26-15-6-7-16-13(11-15)3-2-4-17(16)21(22)24/h2-12H,1H3,(H2,22,24)
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n/an/a 1.20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50375993
PNG
(CHEMBL259252)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCC3)c2cc1OC
Show InChI InChI=1S/C26H24N2O4/c1-30-24-14-21-22(15-25(24)31-2)27-12-11-23(21)32-18-9-10-19-16(13-18)5-3-8-20(19)26(29)28-17-6-4-7-17/h3,5,8-15,17H,4,6-7H2,1-2H3,(H,28,29)
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n/an/a 1.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50375995
PNG
(CHEMBL260532)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1C(N)=O
Show InChI InChI=1S/C22H17N3O4/c1-28-20-11-18-16(10-17(20)22(24)27)19(7-8-25-18)29-13-5-6-14-12(9-13)3-2-4-15(14)21(23)26/h2-11H,1H3,(H2,23,26)(H2,24,27)
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n/an/a 1.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376009
PNG
(CHEMBL409103)
Show SMILES CCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C25H24N2O4/c1-4-11-27-25(28)19-7-5-6-16-13-17(8-9-18(16)19)31-22-10-12-26-21-15-24(30-3)23(29-2)14-20(21)22/h5-10,12-15H,4,11H2,1-3H3,(H,27,28)
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n/an/a 1.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376000
PNG
(CHEMBL270556)
Show SMILES COc1cc2ncnc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C21H17N3O4/c1-26-18-9-16-17(10-19(18)27-2)23-11-24-21(16)28-13-6-7-14-12(8-13)4-3-5-15(14)20(22)25/h3-11H,1-2H3,(H2,22,25)
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n/an/a 1.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376010
PNG
(CHEMBL269871)
Show SMILES CCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C24H22N2O4/c1-4-25-24(27)18-7-5-6-15-12-16(8-9-17(15)18)30-21-10-11-26-20-14-23(29-3)22(28-2)13-19(20)21/h5-14H,4H2,1-3H3,(H,25,27)
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n/an/a 1.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376002
PNG
(CHEMBL411284)
Show SMILES COc1cc2ncnc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1OC
Show InChI InChI=1S/C24H21N3O4/c1-29-21-11-19-20(12-22(21)30-2)25-13-26-24(19)31-16-8-9-17-14(10-16)4-3-5-18(17)23(28)27-15-6-7-15/h3-5,8-13,15H,6-7H2,1-2H3,(H,27,28)
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n/an/a 2.90n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376006
PNG
(CHEMBL410840)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC(F)(F)F)c2cc1OC
Show InChI InChI=1S/C24H19F3N2O4/c1-31-21-11-18-19(12-22(21)32-2)28-9-8-20(18)33-15-6-7-16-14(10-15)4-3-5-17(16)23(30)29-13-24(25,26)27/h3-12H,13H2,1-2H3,(H,29,30)
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n/an/a 3.80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376011
PNG
(CHEMBL270754)
Show SMILES CNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C23H20N2O4/c1-24-23(26)17-6-4-5-14-11-15(7-8-16(14)17)29-20-9-10-25-19-13-22(28-3)21(27-2)12-18(19)20/h4-13H,1-3H3,(H,24,26)
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n/an/a 3.80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376004
PNG
(CHEMBL271189)
Show SMILES COCCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C26H26N2O5/c1-30-13-5-11-28-26(29)20-7-4-6-17-14-18(8-9-19(17)20)33-23-10-12-27-22-16-25(32-3)24(31-2)15-21(22)23/h4,6-10,12,14-16H,5,11,13H2,1-3H3,(H,28,29)
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n/an/a 4.20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376008
PNG
(CHEMBL408211)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)C)c2cc1OC
Show InChI InChI=1S/C25H24N2O4/c1-15(2)27-25(28)19-7-5-6-16-12-17(8-9-18(16)19)31-22-10-11-26-21-14-24(30-4)23(29-3)13-20(21)22/h5-15H,1-4H3,(H,27,28)
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n/an/a 5.90n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50376012
PNG
(CHEMBL270755)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC3CC3)c2cc1OC
Show InChI InChI=1S/C26H24N2O4/c1-30-24-13-21-22(14-25(24)31-2)27-11-10-23(21)32-18-8-9-19-17(12-18)4-3-5-20(19)26(29)28-15-16-6-7-16/h3-5,8-14,16H,6-7,15H2,1-2H3,(H,28,29)
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376012
PNG
(CHEMBL270755)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC3CC3)c2cc1OC
Show InChI InChI=1S/C26H24N2O4/c1-30-24-13-21-22(14-25(24)31-2)27-11-10-23(21)32-18-8-9-19-17(12-18)4-3-5-20(19)26(29)28-15-16-6-7-16/h3-5,8-14,16H,6-7,15H2,1-2H3,(H,28,29)
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376005
PNG
(CHEMBL271188)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C25H24N2O5/c1-29-12-11-27-25(28)19-6-4-5-16-13-17(7-8-18(16)19)32-22-9-10-26-21-15-24(31-3)23(30-2)14-20(21)22/h4-10,13-15H,11-12H2,1-3H3,(H,27,28)
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n/an/a 12n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50375992
PNG
(CHEMBL428961)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3(C)CC3)c2cc1OC
Show InChI InChI=1S/C26H24N2O4/c1-26(10-11-26)28-25(29)19-6-4-5-16-13-17(7-8-18(16)19)32-22-9-12-27-21-15-24(31-3)23(30-2)14-20(21)22/h4-9,12-15H,10-11H2,1-3H3,(H,28,29)
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n/an/a 15n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376013
PNG
(CHEMBL410903)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCCC3)c2cc1OC
Show InChI InChI=1S/C27H26N2O4/c1-31-25-15-22-23(16-26(25)32-2)28-13-12-24(22)33-19-10-11-20-17(14-19)6-5-9-21(20)27(30)29-18-7-3-4-8-18/h5-6,9-16,18H,3-4,7-8H2,1-2H3,(H,29,30)
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n/an/a 15n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50376006
PNG
(CHEMBL410840)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC(F)(F)F)c2cc1OC
Show InChI InChI=1S/C24H19F3N2O4/c1-31-21-11-18-19(12-22(21)32-2)28-9-8-20(18)33-15-6-7-16-14(10-15)4-3-5-17(16)23(30)29-13-24(25,26)27/h3-12H,13H2,1-2H3,(H,29,30)
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n/an/a 16n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50236362
PNG
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32)
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n/an/a 18n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50375994
PNG
(CHEMBL260531)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(cc34)C(N)=O)ccc12
Show InChI InChI=1S/C25H23N3O5/c1-31-11-10-28-25(30)18-5-3-4-15-12-16(6-7-17(15)18)33-22-8-9-27-21-14-23(32-2)20(24(26)29)13-19(21)22/h3-9,12-14H,10-11H2,1-2H3,(H2,26,29)(H,28,30)
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n/an/a 22n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50236856
PNG
(CHEMBL272198 | N-cyclopropyl-6-(6,7-dimethoxyquino...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1OC
Show InChI InChI=1S/C25H22N2O4/c1-29-23-13-20-21(14-24(23)30-2)26-11-10-22(20)31-17-8-9-18-15(12-17)4-3-5-19(18)25(28)27-16-6-7-16/h3-5,8-14,16H,6-7H2,1-2H3,(H,27,28)
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n/an/a 27n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lyn


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50375998
PNG
(CHEMBL272251)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)ccc34)ccc12
Show InChI InChI=1S/C24H22N2O4/c1-28-13-12-26-24(27)20-5-3-4-16-14-18(7-8-19(16)20)30-23-10-11-25-22-15-17(29-2)6-9-21(22)23/h3-11,14-15H,12-13H2,1-2H3,(H,26,27)
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n/an/a 28n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50236362
PNG
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32)
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n/an/a 38n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50376010
PNG
(CHEMBL269871)
Show SMILES CCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C24H22N2O4/c1-4-25-24(27)18-7-5-6-15-12-16(8-9-17(15)18)30-21-10-11-26-20-14-23(29-3)22(28-2)13-19(20)21/h5-14H,4H2,1-3H3,(H,25,27)
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n/an/a 46n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50375992
PNG
(CHEMBL428961)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3(C)CC3)c2cc1OC
Show InChI InChI=1S/C26H24N2O4/c1-26(10-11-26)28-25(29)19-6-4-5-16-13-17(7-8-18(16)19)32-22-9-12-27-21-15-24(31-3)23(30-2)14-20(21)22/h4-9,12-15H,10-11H2,1-3H3,(H,28,29)
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n/an/a 62n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50376005
PNG
(CHEMBL271188)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C25H24N2O5/c1-29-12-11-27-25(28)19-6-4-5-16-13-17(7-8-18(16)19)32-22-9-10-26-21-15-24(31-3)23(30-2)14-20(21)22/h4-10,13-15H,11-12H2,1-3H3,(H,27,28)
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n/an/a 73n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR1


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50376003
PNG
(CHEMBL271984)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H18N2O4/c1-26-20-11-17-18(12-21(20)27-2)24-9-8-19(17)28-14-6-7-15-13(10-14)4-3-5-16(15)22(23)25/h3-12H,1-2H3,(H2,23,25)
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n/an/a 88n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lyn


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50376003
PNG
(CHEMBL271984)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H18N2O4/c1-26-20-11-17-18(12-21(20)27-2)24-9-8-19(17)28-14-6-7-15-13(10-14)4-3-5-16(15)22(23)25/h3-12H,1-2H3,(H2,23,25)
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n/an/a 110n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Abl


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50376011
PNG
(CHEMBL270754)
Show SMILES CNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C23H20N2O4/c1-24-23(26)17-6-4-5-14-11-15(7-8-16(14)17)29-20-9-10-25-19-13-22(28-3)21(27-2)12-18(19)20/h4-13H,1-3H3,(H,24,26)
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n/an/a 110n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50236856
PNG
(CHEMBL272198 | N-cyclopropyl-6-(6,7-dimethoxyquino...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1OC
Show InChI InChI=1S/C25H22N2O4/c1-29-23-13-20-21(14-24(23)30-2)26-11-10-22(20)31-17-8-9-18-15(12-17)4-3-5-19(18)25(28)27-16-6-7-16/h3-5,8-14,16H,6-7H2,1-2H3,(H,27,28)
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n/an/a 118n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50376005
PNG
(CHEMBL271188)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C25H24N2O5/c1-29-12-11-27-25(28)19-6-4-5-16-13-17(7-8-18(16)19)32-22-9-10-26-21-15-24(31-3)23(30-2)14-20(21)22/h4-10,13-15H,11-12H2,1-3H3,(H,27,28)
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n/an/a 130n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50375997
PNG
(CHEMBL272252)
Show SMILES COc1ccc2c(Oc3ccc4c(cccc4c3)C(N)=O)ccnc2c1
Show InChI InChI=1S/C21H16N2O3/c1-25-14-5-8-18-19(12-14)23-10-9-20(18)26-15-6-7-16-13(11-15)3-2-4-17(16)21(22)24/h2-12H,1H3,(H2,22,24)
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n/an/a 130n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50375996
PNG
(CHEMBL272250)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1C(N)=O
Show InChI InChI=1S/C25H21N3O4/c1-31-23-13-21-19(12-20(23)24(26)29)22(9-10-27-21)32-16-7-8-17-14(11-16)3-2-4-18(17)25(30)28-15-5-6-15/h2-4,7-13,15H,5-6H2,1H3,(H2,26,29)(H,28,30)
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n/an/a 185n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50376008
PNG
(CHEMBL408211)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)C)c2cc1OC
Show InChI InChI=1S/C25H24N2O4/c1-15(2)27-25(28)19-7-5-6-16-12-17(8-9-18(16)19)31-22-10-11-26-21-14-24(30-4)23(29-3)13-20(21)22/h5-15H,1-4H3,(H,27,28)
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n/an/a 190n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50376003
PNG
(CHEMBL271984)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H18N2O4/c1-26-20-11-17-18(12-21(20)27-2)24-9-8-19(17)28-14-6-7-15-13(10-14)4-3-5-16(15)22(23)25/h3-12H,1-2H3,(H2,23,25)
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n/an/a 220n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50375994
PNG
(CHEMBL260531)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(cc34)C(N)=O)ccc12
Show InChI InChI=1S/C25H23N3O5/c1-31-11-10-28-25(30)18-5-3-4-15-12-16(6-7-17(15)18)33-22-8-9-27-21-14-23(32-2)20(24(26)29)13-19(21)22/h3-9,12-14H,10-11H2,1-2H3,(H2,26,29)(H,28,30)
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n/an/a 233n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50376005
PNG
(CHEMBL271188)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C25H24N2O5/c1-29-12-11-27-25(28)19-6-4-5-16-13-17(7-8-18(16)19)32-22-9-10-26-21-15-24(31-3)23(30-2)14-20(21)22/h4-10,13-15H,11-12H2,1-3H3,(H,27,28)
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n/an/a 275n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lyn


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50376003
PNG
(CHEMBL271984)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H18N2O4/c1-26-20-11-17-18(12-21(20)27-2)24-9-8-19(17)28-14-6-7-15-13(10-14)4-3-5-16(15)22(23)25/h3-12H,1-2H3,(H2,23,25)
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n/an/a 300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376001
PNG
(CHEMBL412278)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C24H23N3O5/c1-29-10-9-25-23(28)18-6-4-5-15-11-16(7-8-17(15)18)32-24-19-12-21(30-2)22(31-3)13-20(19)26-14-27-24/h4-8,11-14H,9-10H2,1-3H3,(H,25,28)
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n/an/a 314n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50236856
PNG
(CHEMBL272198 | N-cyclopropyl-6-(6,7-dimethoxyquino...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1OC
Show InChI InChI=1S/C25H22N2O4/c1-29-23-13-20-21(14-24(23)30-2)26-11-10-22(20)31-17-8-9-18-15(12-17)4-3-5-19(18)25(28)27-16-6-7-16/h3-5,8-14,16H,6-7H2,1-2H3,(H,27,28)
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n/an/a 330n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50376002
PNG
(CHEMBL411284)
Show SMILES COc1cc2ncnc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1OC
Show InChI InChI=1S/C24H21N3O4/c1-29-21-11-19-20(12-22(21)30-2)25-13-26-24(19)31-16-8-9-17-14(10-16)4-3-5-18(17)23(28)27-15-6-7-15/h3-5,8-13,15H,6-7H2,1-2H3,(H,27,28)
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n/an/a 360n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50236362
PNG
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32)
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n/an/a 371n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50376001
PNG
(CHEMBL412278)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C24H23N3O5/c1-29-10-9-25-23(28)18-6-4-5-15-11-16(7-8-17(15)18)32-24-19-12-21(30-2)22(31-3)13-20(19)26-14-27-24/h4-8,11-14H,9-10H2,1-3H3,(H,25,28)
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n/an/a 385n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50375995
PNG
(CHEMBL260532)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1C(N)=O
Show InChI InChI=1S/C22H17N3O4/c1-28-20-11-18-16(10-17(20)22(24)27)19(7-8-25-18)29-13-5-6-14-12(9-13)3-2-4-15(14)21(23)26/h2-11H,1H3,(H2,23,26)(H2,24,27)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fgr


(Homo sapiens (Human))
BDBM50236856
PNG
(CHEMBL272198 | N-cyclopropyl-6-(6,7-dimethoxyquino...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1OC
Show InChI InChI=1S/C25H22N2O4/c1-29-23-13-20-21(14-24(23)30-2)26-11-10-22(20)31-17-8-9-18-15(12-17)4-3-5-19(18)25(28)27-16-6-7-16/h3-5,8-14,16H,6-7H2,1-2H3,(H,27,28)
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n/an/a 396n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50375993
PNG
(CHEMBL259252)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCC3)c2cc1OC
Show InChI InChI=1S/C26H24N2O4/c1-30-24-14-21-22(15-25(24)31-2)27-12-11-23(21)32-18-9-10-19-16(13-18)5-3-8-20(19)26(29)28-17-6-4-7-17/h3,5,8-15,17H,4,6-7H2,1-2H3,(H,28,29)
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n/an/a 440n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
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