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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50039357   
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 A


(Homo sapiens (Human))
BDBM50335329
PNG
(2-(4-Fluorobenzyl)-4-(5-methyl-1H-pyrazol-3-ylamin...)
Show SMILES Cc1cc(Nc2nn(Cc3ccc(F)cc3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C19H16FN5O/c1-12-10-17(23-22-12)21-18-15-4-2-3-5-16(15)19(26)25(24-18)11-13-6-8-14(20)9-7-13/h2-10H,11H2,1H3,(H2,21,22,23,24)
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n/an/a 14n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335315
PNG
(2-(Methyl-3-pyridine)-4-(5-methyl-1H-pyrazol-3-yla...)
Show SMILES Cc1cc(Nc2nn(Cc3cccnc3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C18H16N6O/c1-12-9-16(22-21-12)20-17-14-6-2-3-7-15(14)18(25)24(23-17)11-13-5-4-8-19-10-13/h2-10H,11H2,1H3,(H2,20,21,22,23)
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n/an/a 17n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335332
PNG
(4-(1H-Pyrazol-3-ylamino)-2-p-tolyl-2H-phthalazin-1...)
Show SMILES Cc1cc(Nc2nn(-c3ccc(C)cc3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C19H17N5O/c1-12-7-9-14(10-8-12)24-19(25)16-6-4-3-5-15(16)18(23-24)20-17-11-13(2)21-22-17/h3-11H,1-2H3,(H2,20,21,22,23)
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n/an/a 23n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335333
PNG
(4-(5-Methyl-1H-pyrazol-3-ylamino)-2-m-tolyl-2H-pht...)
Show SMILES Cc1cc(Nc2nn(-c3cccc(C)c3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C19H17N5O/c1-12-6-5-7-14(10-12)24-19(25)16-9-4-3-8-15(16)18(23-24)20-17-11-13(2)21-22-17/h3-11H,1-2H3,(H2,20,21,22,23)
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n/an/a 24n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50249453
PNG
(2-(2,5-difluorobenzyl)-4-(5-methyl-1H-pyrazol-3-yl...)
Show SMILES Cc1cc(Nc2nn(Cc3cc(F)ccc3F)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C19H15F2N5O/c1-11-8-17(24-23-11)22-18-14-4-2-3-5-15(14)19(27)26(25-18)10-12-9-13(20)6-7-16(12)21/h2-9H,10H2,1H3,(H2,22,23,24,25)
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n/an/a 25n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335331
PNG
(2-(4-Methoxyphenyl)-4-(5-methyl-1H-pyrazol-3-ylami...)
Show SMILES COc1ccc(cc1)-n1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
Show InChI InChI=1S/C19H17N5O2/c1-12-11-17(22-21-12)20-18-15-5-3-4-6-16(15)19(25)24(23-18)13-7-9-14(26-2)10-8-13/h3-11H,1-2H3,(H2,20,21,22,23)
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n/an/a 29n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335330
PNG
(4-(5-Methyl-2H-pyrazole-3-ylamino)phenyl-2H-phthal...)
Show SMILES Cc1cc(Nc2nn(-c3ccccc3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C18H15N5O/c1-12-11-16(21-20-12)19-17-14-9-5-6-10-15(14)18(24)23(22-17)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22)
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n/an/a 31n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335327
PNG
(2-(4-Methoxybenzyl)-4-(5-methyl-1H-pyrazol-3-ylami...)
Show SMILES COc1ccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)cc1
Show InChI InChI=1S/C20H19N5O2/c1-13-11-18(23-22-13)21-19-16-5-3-4-6-17(16)20(26)25(24-19)12-14-7-9-15(27-2)10-8-14/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
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n/an/a 32n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335323
PNG
(2-Isopropyl-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-p...)
Show SMILES CC(C)n1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
Show InChI InChI=1S/C15H17N5O/c1-9(2)20-15(21)12-7-5-4-6-11(12)14(19-20)16-13-8-10(3)17-18-13/h4-9H,1-3H3,(H2,16,17,18,19)
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n/an/a 35n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335322
PNG
(2-(3-Methoxybenzyl)-4-(5-methyl-1H-pyrazol-3-ylami...)
Show SMILES COc1cccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)c1
Show InChI InChI=1S/C20H19N5O2/c1-13-10-18(23-22-13)21-19-16-8-3-4-9-17(16)20(26)25(24-19)12-14-6-5-7-15(11-14)27-2/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
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n/an/a 36n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335334
PNG
(2-(4-Fluorophenyl)-4-(5-methyl-1H-pyrazol-3-ylamin...)
Show SMILES Cc1cc(Nc2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C18H14FN5O/c1-11-10-16(22-21-11)20-17-14-4-2-3-5-15(14)18(25)24(23-17)13-8-6-12(19)7-9-13/h2-10H,1H3,(H2,20,21,22,23)
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n/an/a 37n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335336
PNG
(2-(3,5-Difluorobenzyl)-4-(5-methyl-1H-pyrazol-3-yl...)
Show SMILES Cc1cc(Nc2nn(Cc3cc(F)cc(F)c3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C19H15F2N5O/c1-11-6-17(24-23-11)22-18-15-4-2-3-5-16(15)19(27)26(25-18)10-12-7-13(20)9-14(21)8-12/h2-9H,10H2,1H3,(H2,22,23,24,25)
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n/an/a 49n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335324
PNG
(2-(4-Toluylsulfonate)-4-(5-methyl-1H-pyrazol-3-yla...)
Show SMILES Cc1cc(Nc2nn(Cc3ccc(cc3)S(C)(=O)=O)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C20H19N5O3S/c1-13-11-18(23-22-13)21-19-16-5-3-4-6-17(16)20(26)25(24-19)12-14-7-9-15(10-8-14)29(2,27)28/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
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n/an/a 56n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335335
PNG
(2-Benzyl-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phth...)
Show SMILES Cc1cc(Nc2nn(Cc3ccccc3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C19H17N5O/c1-13-11-17(22-21-13)20-18-15-9-5-6-10-16(15)19(25)24(23-18)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,20,21,22,23)
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n/an/a 65n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50249210
PNG
(4-(5-methyl-1H-pyrazol-3-ylamino)-2-(2,2,2-trifluo...)
Show SMILES Cc1cc(Nc2nn(CC(F)(F)F)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C14H12F3N5O/c1-8-6-11(20-19-8)18-12-9-4-2-3-5-10(9)13(23)22(21-12)7-14(15,16)17/h2-6H,7H2,1H3,(H2,18,19,20,21)
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n/an/a 66n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335337
PNG
(2-[2-(4-Methoxyphenyl)-2-oxoethyl]-4-(5-methyl-1H-...)
Show SMILES COc1ccc(cc1)C(=O)Cn1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
Show InChI InChI=1S/C21H19N5O3/c1-13-11-19(24-23-13)22-20-16-5-3-4-6-17(16)21(28)26(25-20)12-18(27)14-7-9-15(29-2)10-8-14/h3-11H,12H2,1-2H3,(H2,22,23,24,25)
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n/an/a 67n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50249420
PNG
(4-(5-methyl-1H-pyrazol-3-ylamino)-2-(2-oxo-2-pheny...)
Show SMILES Cc1cc(Nc2nn(CC(=O)c3ccccc3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C20H17N5O2/c1-13-11-18(23-22-13)21-19-15-9-5-6-10-16(15)20(27)25(24-19)12-17(26)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,21,22,23,24)
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n/an/a 71n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50249237
PNG
(2-(4-chlorophenyl)-4-(5-methyl-1H-pyrazol-3-ylamin...)
Show SMILES Cc1cc(Nc2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C18H14ClN5O/c1-11-10-16(22-21-11)20-17-14-4-2-3-5-15(14)18(25)24(23-17)13-8-6-12(19)7-9-13/h2-10H,1H3,(H2,20,21,22,23)
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n/an/a 93n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335317
PNG
(CHEMBL1651480 | N-{4-[1-Oxo-4-(1H-pyrazol-3-ylamin...)
Show SMILES CC(=O)Nc1ccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)cc1
Show InChI InChI=1S/C21H20N6O2/c1-13-11-19(25-24-13)23-20-17-5-3-4-6-18(17)21(29)27(26-20)12-15-7-9-16(10-8-15)22-14(2)28/h3-11H,12H2,1-2H3,(H,22,28)(H2,23,24,25,26)
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n/an/a 93n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335328
PNG
(2-[2-(3-Methoxyphenyl)-2-oxoethyl]-4-(5-methyl-1H-...)
Show SMILES COc1cccc(c1)C(=O)Cn1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
Show InChI InChI=1S/C21H19N5O3/c1-13-10-19(24-23-13)22-20-16-8-3-4-9-17(16)21(28)26(25-20)12-18(27)14-6-5-7-15(11-14)29-2/h3-11H,12H2,1-2H3,(H2,22,23,24,25)
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n/an/a 100n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335340
PNG
(4-(5-Methyl-1H-pyrazol-3-ylamino)-2-(4-nitrobenzyl...)
Show SMILES Cc1cc(Nc2nn(Cc3ccc(cc3)[N+]([O-])=O)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C19H16N6O3/c1-12-10-17(22-21-12)20-18-15-4-2-3-5-16(15)19(26)24(23-18)11-13-6-8-14(9-7-13)25(27)28/h2-10H,11H2,1H3,(H2,20,21,22,23)
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n/an/a 109n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335325
PNG
(2-Isobutyl-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-ph...)
Show SMILES CC(C)Cn1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
Show InChI InChI=1S/C16H19N5O/c1-10(2)9-21-16(22)13-7-5-4-6-12(13)15(20-21)17-14-8-11(3)18-19-14/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20)
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n/an/a 115n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335320
PNG
(4-(5-Methyl-1H-pyrazol-3-ylamino)-2-(2-methylthiaz...)
Show SMILES Cc1cc(Nc2nn(Cc3csc(C)n3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C17H16N6OS/c1-10-7-15(21-20-10)19-16-13-5-3-4-6-14(13)17(24)23(22-16)8-12-9-25-11(2)18-12/h3-7,9H,8H2,1-2H3,(H2,19,20,21,22)
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n/an/a 120n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335339
PNG
(2-(4-tert-Butylphenyl)-4-(5-methyl-1H-pyrazol-3-yl...)
Show SMILES Cc1cc(Nc2nn(-c3ccc(cc3)C(C)(C)C)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C22H23N5O/c1-14-13-19(25-24-14)23-20-17-7-5-6-8-18(17)21(28)27(26-20)16-11-9-15(10-12-16)22(2,3)4/h5-13H,1-4H3,(H2,23,24,25,26)
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n/an/a 240n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335321
PNG
(2-(Methyl-4-pyridine)-4-(5-methyl-1H-pyrazol-3-yla...)
Show SMILES Cc1cc(Nc2nn(Cc3ccncc3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C18H16N6O/c1-12-10-16(22-21-12)20-17-14-4-2-3-5-15(14)18(25)24(23-17)11-13-6-8-19-9-7-13/h2-10H,11H2,1H3,(H2,20,21,22,23)
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n/an/a 270n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335318
PNG
(2-Methyl-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phth...)
Show SMILES Cc1cc(Nc2nn(C)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C13H13N5O/c1-8-7-11(16-15-8)14-12-9-5-3-4-6-10(9)13(19)18(2)17-12/h3-7H,1-2H3,(H2,14,15,16,17)
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n/an/a 270n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335326
PNG
(CHEMBL1651491 | N-(4-((4-(1H-pyrazol-3-ylamino)-1-...)
Show SMILES CC(=O)Nc1ccc(Cn2nc(Nc3ccn[nH]3)c3ccccc3c2=O)cc1
Show InChI InChI=1S/C20H18N6O2/c1-13(27)22-15-8-6-14(7-9-15)12-26-20(28)17-5-3-2-4-16(17)19(25-26)23-18-10-11-21-24-18/h2-11H,12H2,1H3,(H,22,27)(H2,21,23,24,25)
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n/an/a 550n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335319
PNG
(4-(5-Methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-...)
Show SMILES Cc1cc(Nc2n[nH]c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C12H11N5O/c1-7-6-10(15-14-7)13-11-8-4-2-3-5-9(8)12(18)17-16-11/h2-6H,1H3,(H,17,18)(H2,13,14,15,16)
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n/an/a 650n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335338
PNG
(4-(5-Methyl-1H-pyrazol-3-ylamino)-2-[2-oxo-2-(4-tr...)
Show SMILES Cc1cc(Nc2nn(CC(=O)c3ccc(cc3)C(F)(F)F)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C21H16F3N5O2/c1-12-10-18(27-26-12)25-19-15-4-2-3-5-16(15)20(31)29(28-19)11-17(30)13-6-8-14(9-7-13)21(22,23)24/h2-10H,11H2,1H3,(H2,25,26,27,28)
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n/an/a 720n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335340
PNG
(4-(5-Methyl-1H-pyrazol-3-ylamino)-2-(4-nitrobenzyl...)
Show SMILES Cc1cc(Nc2nn(Cc3ccc(cc3)[N+]([O-])=O)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C19H16N6O3/c1-12-10-17(22-21-12)20-18-15-4-2-3-5-16(15)19(26)24(23-18)11-13-6-8-14(9-7-13)25(27)28/h2-10H,11H2,1H3,(H2,20,21,22,23)
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n/an/a 930n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335341
PNG
(4-(1H-pyrazol-3-ylamino)-2-p-tolylphthalazin-1(2H)...)
Show SMILES Cc1ccc(cc1)-n1nc(Nc2ccn[nH]2)c2ccccc2c1=O
Show InChI InChI=1S/C18H15N5O/c1-12-6-8-13(9-7-12)23-18(24)15-5-3-2-4-14(15)17(22-23)20-16-10-11-19-21-16/h2-11H,1H3,(H2,19,20,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335315
PNG
(2-(Methyl-3-pyridine)-4-(5-methyl-1H-pyrazol-3-yla...)
Show SMILES Cc1cc(Nc2nn(Cc3cccnc3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C18H16N6O/c1-12-9-16(22-21-12)20-17-14-6-2-3-7-15(14)18(25)24(23-17)11-13-5-4-8-19-10-13/h2-10H,11H2,1H3,(H2,20,21,22,23)
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n/an/a 1.27E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50335316
PNG
(4-(1H-Indazol-3-ylamino)-2-phenyl-2H-phthalazin-1-...)
Show SMILES O=c1n(nc(Nc2n[nH]c3ccccc23)c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C21H15N5O/c27-21-16-11-5-4-10-15(16)20(25-26(21)14-8-2-1-3-9-14)22-19-17-12-6-7-13-18(17)23-24-19/h1-13H,(H2,22,23,24,25)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335317
PNG
(CHEMBL1651480 | N-{4-[1-Oxo-4-(1H-pyrazol-3-ylamin...)
Show SMILES CC(=O)Nc1ccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)cc1
Show InChI InChI=1S/C21H20N6O2/c1-13-11-19(25-24-13)23-20-17-5-3-4-6-18(17)21(29)27(26-20)12-15-7-9-16(10-8-15)22-14(2)28/h3-11H,12H2,1-2H3,(H,22,28)(H2,23,24,25,26)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50249210
PNG
(4-(5-methyl-1H-pyrazol-3-ylamino)-2-(2,2,2-trifluo...)
Show SMILES Cc1cc(Nc2nn(CC(F)(F)F)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C14H12F3N5O/c1-8-6-11(20-19-8)18-12-9-4-2-3-5-10(9)13(23)22(21-12)7-14(15,16)17/h2-6H,7H2,1H3,(H2,18,19,20,21)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335318
PNG
(2-Methyl-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phth...)
Show SMILES Cc1cc(Nc2nn(C)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C13H13N5O/c1-8-7-11(16-15-8)14-12-9-5-3-4-6-10(9)13(19)18(2)17-12/h3-7H,1-2H3,(H2,14,15,16,17)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335319
PNG
(4-(5-Methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-...)
Show SMILES Cc1cc(Nc2n[nH]c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C12H11N5O/c1-7-6-10(15-14-7)13-11-8-4-2-3-5-9(8)12(18)17-16-11/h2-6H,1H3,(H,17,18)(H2,13,14,15,16)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335320
PNG
(4-(5-Methyl-1H-pyrazol-3-ylamino)-2-(2-methylthiaz...)
Show SMILES Cc1cc(Nc2nn(Cc3csc(C)n3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C17H16N6OS/c1-10-7-15(21-20-10)19-16-13-5-3-4-6-14(13)17(24)23(22-16)8-12-9-25-11(2)18-12/h3-7,9H,8H2,1-2H3,(H2,19,20,21,22)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335321
PNG
(2-(Methyl-4-pyridine)-4-(5-methyl-1H-pyrazol-3-yla...)
Show SMILES Cc1cc(Nc2nn(Cc3ccncc3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C18H16N6O/c1-12-10-16(22-21-12)20-17-14-4-2-3-5-15(14)18(25)24(23-17)11-13-6-8-19-9-7-13/h2-10H,11H2,1H3,(H2,20,21,22,23)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335322
PNG
(2-(3-Methoxybenzyl)-4-(5-methyl-1H-pyrazol-3-ylami...)
Show SMILES COc1cccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)c1
Show InChI InChI=1S/C20H19N5O2/c1-13-10-18(23-22-13)21-19-16-8-3-4-9-17(16)20(26)25(24-19)12-14-6-5-7-15(11-14)27-2/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335323
PNG
(2-Isopropyl-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-p...)
Show SMILES CC(C)n1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
Show InChI InChI=1S/C15H17N5O/c1-9(2)20-15(21)12-7-5-4-6-11(12)14(19-20)16-13-8-10(3)17-18-13/h4-9H,1-3H3,(H2,16,17,18,19)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335324
PNG
(2-(4-Toluylsulfonate)-4-(5-methyl-1H-pyrazol-3-yla...)
Show SMILES Cc1cc(Nc2nn(Cc3ccc(cc3)S(C)(=O)=O)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C20H19N5O3S/c1-13-11-18(23-22-13)21-19-16-5-3-4-6-17(16)20(26)25(24-19)12-14-7-9-15(10-8-14)29(2,27)28/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335325
PNG
(2-Isobutyl-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-ph...)
Show SMILES CC(C)Cn1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
Show InChI InChI=1S/C16H19N5O/c1-10(2)9-21-16(22)13-7-5-4-6-12(13)15(20-21)17-14-8-11(3)18-19-14/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335326
PNG
(CHEMBL1651491 | N-(4-((4-(1H-pyrazol-3-ylamino)-1-...)
Show SMILES CC(=O)Nc1ccc(Cn2nc(Nc3ccn[nH]3)c3ccccc3c2=O)cc1
Show InChI InChI=1S/C20H18N6O2/c1-13(27)22-15-8-6-14(7-9-15)12-26-20(28)17-5-3-2-4-16(17)19(25-26)23-18-10-11-21-24-18/h2-11H,12H2,1H3,(H,22,27)(H2,21,23,24,25)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335327
PNG
(2-(4-Methoxybenzyl)-4-(5-methyl-1H-pyrazol-3-ylami...)
Show SMILES COc1ccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)cc1
Show InChI InChI=1S/C20H19N5O2/c1-13-11-18(23-22-13)21-19-16-5-3-4-6-17(16)20(26)25(24-19)12-14-7-9-15(27-2)10-8-14/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
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n/an/a 4.60E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335339
PNG
(2-(4-tert-Butylphenyl)-4-(5-methyl-1H-pyrazol-3-yl...)
Show SMILES Cc1cc(Nc2nn(-c3ccc(cc3)C(C)(C)C)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C22H23N5O/c1-14-13-19(25-24-14)23-20-17-7-5-6-8-18(17)21(28)27(26-20)16-11-9-15(10-12-16)22(2,3)4/h5-13H,1-4H3,(H2,23,24,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335328
PNG
(2-[2-(3-Methoxyphenyl)-2-oxoethyl]-4-(5-methyl-1H-...)
Show SMILES COc1cccc(c1)C(=O)Cn1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
Show InChI InChI=1S/C21H19N5O3/c1-13-10-19(24-23-13)22-20-16-8-3-4-9-17(16)21(28)26(25-20)12-18(27)14-6-5-7-15(11-14)29-2/h3-11H,12H2,1-2H3,(H2,22,23,24,25)
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n/an/a 6.70E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335329
PNG
(2-(4-Fluorobenzyl)-4-(5-methyl-1H-pyrazol-3-ylamin...)
Show SMILES Cc1cc(Nc2nn(Cc3ccc(F)cc3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C19H16FN5O/c1-12-10-17(23-22-12)21-18-15-4-2-3-5-16(15)19(26)25(24-18)11-13-6-8-14(20)9-7-13/h2-10H,11H2,1H3,(H2,21,22,23,24)
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n/an/a 6.90E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335331
PNG
(2-(4-Methoxyphenyl)-4-(5-methyl-1H-pyrazol-3-ylami...)
Show SMILES COc1ccc(cc1)-n1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
Show InChI InChI=1S/C19H17N5O2/c1-12-11-17(22-21-12)20-18-15-5-3-4-6-16(15)19(25)24(23-18)13-7-9-14(26-2)10-8-13/h3-11H,1-2H3,(H2,20,21,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335335
PNG
(2-Benzyl-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phth...)
Show SMILES Cc1cc(Nc2nn(Cc3ccccc3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C19H17N5O/c1-13-11-17(22-21-13)20-18-15-9-5-6-10-16(15)19(25)24(23-18)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,20,21,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
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