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Compile Data Set for Download or QSAR

Found 153 hits with Last Name = 'combeau' and Initial = 'c'   
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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50059435
PNG
(CHEMBL3393498)
Show SMILES CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:10|
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990n/an/an/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 in liver microsomes by mechanism based inhibition assay


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM21363
PNG
(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Show SMILES Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
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Article
PubMed
2.47E+3n/an/an/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 in liver microsomes by mechanism based inhibition assay


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM50059435
PNG
(CHEMBL3393498)
Show SMILES CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:10|
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n/an/a 0.600n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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n/an/a 0.700n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of aurora A (unknown origin)


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM47224
PNG
(US9073917, 2-inventive)
Show SMILES CCc1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:7|
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n/an/a 1n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM47224
PNG
(US9073917, 2-inventive)
Show SMILES CCc1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:7|
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n/an/a 1n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
The effect of the compounds of the invention on the activity of the enzyme PDE3 was evaluated by the company CEREP (Le bois I'Evêque, 86600 Celle...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50277545
PNG
(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)
Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11|
Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
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n/an/a 1n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of aurora A (unknown origin)


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aurora kinase B


(Homo sapiens (Human))
BDBM50059435
PNG
(CHEMBL3393498)
Show SMILES CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:10|
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n/an/a 1n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059436
PNG
(CHEMBL3393065)
Show SMILES CCOC(=O)c1[nH]cc2C(c3cc(Sc4nc5ccccc5[nH]4)cs3)C3=C(CCCC3=O)Nc12 |t:28|
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n/an/a 2n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059454
PNG
(CHEMBL3393470)
Show SMILES COC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:27|
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n/an/a 2n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059443
PNG
(CHEMBL3393472)
Show SMILES O.Cl.CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CNCC3=O)Nc12 |t:28|
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n/an/a 2n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50059454
PNG
(CHEMBL3393470)
Show SMILES COC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:27|
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n/an/a 2n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059432
PNG
(CHEMBL3393486)
Show SMILES Cl.CCOC(=O)c1[nH]cc2[C@H](c3ccc(Sc4nc5c(F)cccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)CN)Nc12 |r,t:29|
Show InChI InChI=1S/C26H23FN6O5S.ClH/c1-2-37-25(36)24-22-12(9-29-24)20(21-15(30-22)10-33(11-16(21)34)18(35)8-28)17-6-7-19(38-17)39-26-31-14-5-3-4-13(27)23(14)32-26;/h3-7,9,20,29-30H,2,8,10-11,28H2,1H3,(H,31,32);1H/t20-;/m1./s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059430
PNG
(CHEMBL3393488)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)cccc5[nH]4)o3)C3=C(CNCC3=O)Nc12 |t:29|
Show InChI InChI=1S/C24H20FN5O4S/c1-2-33-23(32)22-20-11(8-27-22)18(19-14(28-20)9-26-10-15(19)31)16-6-7-17(34-16)35-24-29-13-5-3-4-12(25)21(13)30-24/h3-8,18,26-28H,2,9-10H2,1H3,(H,29,30)
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n/an/a 3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM167510
PNG
(US9073917, 7- comparative)
Show SMILES CCc1[nH]cc2C(C3=C(CC(C)(C)CC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |t:7|
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n/an/a 3n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059442
PNG
(CHEMBL3393469)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:28|
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n/an/a 3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059442
PNG
(CHEMBL3393469)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:28|
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n/an/a 3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase C


(Homo sapiens (Human))
BDBM50059435
PNG
(CHEMBL3393498)
Show SMILES CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:10|
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n/an/a 3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora C (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50059443
PNG
(CHEMBL3393472)
Show SMILES O.Cl.CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CNCC3=O)Nc12 |t:28|
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n/an/a 3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM167515
PNG
(US9073917, 12- comparative)
Show SMILES CCOC(=O)c1[nH]cc2[C@@H](c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |r,t:28|
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n/an/a 3n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM167510
PNG
(US9073917, 7- comparative)
Show SMILES CCc1[nH]cc2C(C3=C(CC(C)(C)CC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |t:7|
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n/an/a 4n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM167506
PNG
(US9073917, 1-inventive)
Show SMILES CCc1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |t:7|
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n/an/a 4n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50059442
PNG
(CHEMBL3393469)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:28|
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059446
PNG
(CHEMBL3393475)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)cc(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:30|
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n/an/a 4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM167515
PNG
(US9073917, 12- comparative)
Show SMILES CCOC(=O)c1[nH]cc2[C@@H](c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |r,t:28|
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n/an/a 4n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50059450
PNG
(CHEMBL3393479)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(Cl)c5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
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n/an/a 4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059433
PNG
(CHEMBL3393485)
Show SMILES Cl.CCOC(=O)c1[nH]cc2[C@H](c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)CN)Nc12 |r,t:28|
Show InChI InChI=1S/C26H24N6O5S.ClH/c1-2-36-25(35)24-23-13(10-28-24)21(22-16(29-23)11-32(12-17(22)33)19(34)9-27)18-7-8-20(37-18)38-26-30-14-5-3-4-6-15(14)31-26;/h3-8,10,21,28-29H,2,9,11-12,27H2,1H3,(H,30,31);1H/t21-;/m1./s1
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n/an/a 4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50059442
PNG
(CHEMBL3393469)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:28|
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n/an/a 4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50059445
PNG
(CHEMBL3393474)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(F)c5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
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n/an/a 4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase C


(Homo sapiens (Human))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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n/an/a 4.60n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of aurora C (unknown origin)


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059431
PNG
(CHEMBL3393487)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(Cl)c5[nH]4)o3)C3=C(CNCC3=O)Nc12 |t:29|
Show InChI InChI=1S/C24H20ClN5O4S/c1-2-33-23(32)22-20-11(8-27-22)18(19-14(28-20)9-26-10-15(19)31)16-6-7-17(34-16)35-24-29-13-5-3-4-12(25)21(13)30-24/h3-8,18,26-28H,2,9-10H2,1H3,(H,29,30)
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n/an/a 5n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059456
PNG
(CHEMBL3393467)
Show SMILES COC(=O)c1csc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:27|
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n/an/a 5n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059461
PNG
(CHEMBL3393462)
Show SMILES O=C1CCCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1cn[nH]c1N2 |c:5|
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n/an/a 5n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059445
PNG
(CHEMBL3393474)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(F)c5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
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n/an/a 6n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059447
PNG
(CHEMBL3393476)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(F)c(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:30|
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n/an/a 6n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059593
PNG
(CHEMBL3393484)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC)CC3=O)Nc12 |t:28|
Show InChI InChI=1S/C26H25N5O4S/c1-3-31-12-17-22(18(32)13-31)21(14-11-27-24(23(14)28-17)25(33)34-4-2)19-9-10-20(35-19)36-26-29-15-7-5-6-8-16(15)30-26/h5-11,21,27-28H,3-4,12-13H2,1-2H3,(H,29,30)
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM167506
PNG
(US9073917, 1-inventive)
Show SMILES CCc1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |t:7|
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n/an/a 6n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM167508
PNG
(US9073917, 5- comparative)
Show SMILES O=C1CCCC2=C1C(c1c[nH]nc1N2)c1cccc(Oc2nc3ccccc3[nH]2)c1 |c:5|
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n/an/a 6n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM167507
PNG
(US9073917, 4- comparative)
Show SMILES CCc1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1 |t:7|
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n/an/a 6n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50059440
PNG
(CHEMBL3393490)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)OC(C)(C)C)Nc12 |t:28|
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n/an/a 6n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059449
PNG
(CHEMBL3393478)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)c(F)c(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:31|
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n/an/a 7n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059592
PNG
(CHEMBL3393494)
Show SMILES CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1 |t:10|
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n/an/a 7n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059448
PNG
(CHEMBL3393477)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccc(F)c(F)c5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:30|
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n/an/a 7n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059590
PNG
(CHEMBL3393495)
Show SMILES CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)n1 |t:10|
Show InChI InChI=1S/C26H23N5O3S/c1-2-34-25(33)24-23-14(13-27-24)21(22-18(29-23)9-5-11-19(22)32)17-10-6-12-20(28-17)35-26-30-15-7-3-4-8-16(15)31-26/h3-4,6-8,10,12-13,21,27,29H,2,5,9,11H2,1H3,(H,30,31)
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n/an/a 7n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059450
PNG
(CHEMBL3393479)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(Cl)c5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
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n/an/a 7n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059439
PNG
(CHEMBL3393491)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(Cc4ccccc4)CC3=O)Nc12 |t:28|
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n/an/a 8n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM167512
PNG
(US9073917, 11- comparative | US9073917, 9- compara...)
Show SMILES CCc1[nH]cc2C(C3=C(CNCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1 |t:7|
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n/an/a 8n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50059593
PNG
(CHEMBL3393484)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC)CC3=O)Nc12 |t:28|
Show InChI InChI=1S/C26H25N5O4S/c1-3-31-12-17-22(18(32)13-31)21(14-11-27-24(23(14)28-17)25(33)34-4-2)19-9-10-20(35-19)36-26-29-15-7-5-6-8-16(15)30-26/h5-11,21,27-28H,3-4,12-13H2,1-2H3,(H,29,30)
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n/an/a 8n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50059446
PNG
(CHEMBL3393475)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)cc(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:30|
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n/an/a 8n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059451
PNG
(CHEMBL3393482)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(O)cccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
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UniChem

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Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
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