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PubMed code 20934346

Compile data set for download or QSAR
Found 46 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kinesin-like protein 1


(Homo sapiens)
BDBM50330546
PNG
(4-Furan-6-methyl-N-(4-methoxyphenyl)-4,7-dihydro-2...)
Show SMILES COc1ccc(NC(=O)C2C(c3ccco3)c3cn[nH]c3N=C2C)cc1
Show InChI InChI=1S/C19H18N4O3/c1-11-16(19(24)22-12-5-7-13(25-2)8-6-12)17(15-4-3-9-26-15)14-10-20-23-18(14)21-11/h3-10,16-17H,1-2H3,(H,20,23)(H,22,24)
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n/an/a 1.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330547
PNG
(4-Thiophene-6-methyl-N-(4-methoxyphenyl)-4,7-dihyd...)
Show SMILES COc1ccc(NC(=O)C2C(c3cccs3)c3cn[nH]c3N=C2C)cc1
Show InChI InChI=1S/C19H18N4O2S/c1-11-16(19(24)22-12-5-7-13(25-2)8-6-12)17(15-4-3-9-26-15)14-10-20-23-18(14)21-11/h3-10,16-17H,1-2H3,(H,20,23)(H,22,24)
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n/an/a 2.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50198311
PNG
((R)-N-(1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquina...)
Show SMILES CC[C@@H](N(CCCN(C)C)C(=O)c1ccc(Br)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H32BrClN4O2/c1-4-27(35(18-8-17-34(2)3)29(37)22-11-13-23(31)14-12-22)28-33-26-19-24(32)15-16-25(26)30(38)36(28)20-21-9-6-5-7-10-21/h5-7,9-16,19,27H,4,8,17-18,20H2,1-3H3/t27-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330548
PNG
(4-Phenyl-6-methyl-N-(4-fluorophenyl)-4,7-dihydro-2...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C20H17FN4O/c1-12-17(20(26)24-15-9-7-14(21)8-10-15)18(13-5-3-2-4-6-13)16-11-22-25-19(16)23-12/h2-11,17-18H,1H3,(H,22,25)(H,24,26)
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n/an/a 140n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330549
PNG
(4-Phenyl-6-methyl-N-(3-chloro-4-fluorophenyl)-4,7-...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C20H16ClFN4O/c1-11-17(20(27)25-13-7-8-16(22)15(21)9-13)18(12-5-3-2-4-6-12)14-10-23-26-19(14)24-11/h2-10,17-18H,1H3,(H,23,26)(H,25,27)
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n/an/a 170n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330550
PNG
(CHEMBL1277474 | N-(4-chlorophenyl)-2,7,7-trimethyl...)
Show SMILES CC1=C(C(C2C(=O)CC(C)(C)CC2=N1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O2/c1-15-21(24(30)28-18-11-9-17(26)10-12-18)22(16-7-5-4-6-8-16)23-19(27-15)13-25(2,3)14-20(23)29/h4-12,22-23H,13-14H2,1-3H3,(H,28,30)
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n/an/a 180n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330551
PNG
(4-Phenyl-6-methyl-N-(4-nitrophenyl)-4,7-dihydro-2H...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C20H17N5O3/c1-12-17(20(26)23-14-7-9-15(10-8-14)25(27)28)18(13-5-3-2-4-6-13)16-11-21-24-19(16)22-12/h2-11,17-18H,1H3,(H,21,24)(H,23,26)
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n/an/a 200n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330552
PNG
(4-Thiophene-6-methyl-N-(4-trifluoromethylphenyl)-4...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1cccs1
Show InChI InChI=1S/C19H15F3N4OS/c1-10-15(18(27)25-12-6-4-11(5-7-12)19(20,21)22)16(14-3-2-8-28-14)13-9-23-26-17(13)24-10/h2-9,15-16H,1H3,(H,23,26)(H,25,27)
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n/an/a 320n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330553
PNG
(4-Phenyl-6-methyl-N-(4-trifluoromethylphenyl)-4,7-...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C21H17F3N4O/c1-12-17(20(29)27-15-9-7-14(8-10-15)21(22,23)24)18(13-5-3-2-4-6-13)16-11-25-28-19(16)26-12/h2-11,17-18H,1H3,(H,25,28)(H,27,29)
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n/an/a 400n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330554
PNG
(4-Furan-6-methyl-N-(3-chloro-4-fluorophenyl)-4,7-d...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1
Show InChI InChI=1S/C18H14ClFN4O2/c1-9-15(18(25)23-10-4-5-13(20)12(19)7-10)16(14-3-2-6-26-14)11-8-21-24-17(11)22-9/h2-8,15-16H,1H3,(H,21,24)(H,23,25)
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n/an/a 400n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330555
PNG
(4-Thiophene-6-methyl-N-(3-chloro-4-fluorophenyl)-4...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1cccs1
Show InChI InChI=1S/C18H14ClFN4OS/c1-9-15(18(25)23-10-4-5-13(20)12(19)7-10)16(14-3-2-6-26-14)11-8-21-24-17(11)22-9/h2-8,15-16H,1H3,(H,21,24)(H,23,25)
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n/an/a 440n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330556
PNG
(4-Thiophene-6-methyl-N-(4-nitrophenyl)-4,7-dihydro...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1cccs1
Show InChI InChI=1S/C18H15N5O3S/c1-10-15(18(24)21-11-4-6-12(7-5-11)23(25)26)16(14-3-2-8-27-14)13-9-19-22-17(13)20-10/h2-9,15-16H,1H3,(H,19,22)(H,21,24)
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n/an/a 820n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330557
PNG
(CHEMBL1277383 | N-(3-Chloro-4-fluorobenzyl)-4-fura...)
Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1
Show InChI InChI=1S/C22H16ClFN4O2/c1-12-19(21(29)26-13-8-9-15(24)14(23)11-13)20(18-7-4-10-30-18)28-17-6-3-2-5-16(17)27-22(28)25-12/h2-11,19-20H,1H3,(H,26,29)
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n/an/a 960n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330558
PNG
(4-Furan-6-methyl-N-(4-trifluoromethylphenyl)-4,7-d...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccco1
Show InChI InChI=1S/C19H15F3N4O2/c1-10-15(18(27)25-12-6-4-11(5-7-12)19(20,21)22)16(14-3-2-8-28-14)13-9-23-26-17(13)24-10/h2-9,15-16H,1H3,(H,23,26)(H,25,27)
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n/an/a 1.06E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330559
PNG
(CHEMBL1277382 | N-(4-Trifluoromethylbenzyl)-4-fura...)
Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccco1
Show InChI InChI=1S/C23H17F3N4O2/c1-13-19(21(31)28-15-10-8-14(9-11-15)23(24,25)26)20(18-7-4-12-32-18)30-17-6-3-2-5-16(17)29-22(30)27-13/h2-12,19-20H,1H3,(H,28,31)
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n/an/a 1.32E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330560
PNG
(CHEMBL1277293 | N-(4-Methoxybenzyl)-4-furan-2-meth...)
Show SMILES COc1ccc(NC(=O)C2C(c3ccco3)n3c(nc4ccccc34)N=C2C)cc1
Show InChI InChI=1S/C23H20N4O3/c1-14-20(22(28)25-15-9-11-16(29-2)12-10-15)21(19-8-5-13-30-19)27-18-7-4-3-6-17(18)26-23(27)24-14/h3-13,20-21H,1-2H3,(H,25,28)
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n/an/a 2.46E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330561
PNG
(4-Furan-6-methyl-N-(4-nitrophenyl)-4,7-dihydro-2Hp...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1
Show InChI InChI=1S/C18H15N5O4/c1-10-15(18(24)21-11-4-6-12(7-5-11)23(25)26)16(14-3-2-8-27-14)13-9-19-22-17(13)20-10/h2-9,15-16H,1H3,(H,19,22)(H,21,24)
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n/an/a 2.76E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330562
PNG
(4-Phenyl-6-methyl-N-(4-methoxyphenyl)-4,7-dihydro-...)
Show SMILES COc1ccc(NC(=O)C2C(c3cn[nH]c3N=C2C)c2ccccc2)cc1
Show InChI InChI=1S/C21H20N4O2/c1-13-18(21(26)24-15-8-10-16(27-2)11-9-15)19(14-6-4-3-5-7-14)17-12-22-25-20(17)23-13/h3-12,18-19H,1-2H3,(H,22,25)(H,24,26)
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n/an/a 2.82E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330563
PNG
(CHEMBL1277294 | N-(4-Nitrobenzyl)-4-furan-2-methyl...)
Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1
Show InChI InChI=1S/C22H17N5O4/c1-13-19(21(28)24-14-8-10-15(11-9-14)27(29)30)20(18-7-4-12-31-18)26-17-6-3-2-5-16(17)25-22(26)23-13/h2-12,19-20H,1H3,(H,24,28)
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n/an/a 3.00E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330559
PNG
(CHEMBL1277382 | N-(4-Trifluoromethylbenzyl)-4-fura...)
Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccco1
Show InChI InChI=1S/C23H17F3N4O2/c1-13-19(21(31)28-15-10-8-14(9-11-15)23(24,25)26)20(18-7-4-12-32-18)30-17-6-3-2-5-16(17)29-22(30)27-13/h2-12,19-20H,1H3,(H,28,31)
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n/an/a 3.32E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50224731
PNG
(4-(6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dim...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)cc2[nH]1
Show InChI InChI=1S/C14H13ClN4/c1-19(2)11-5-3-9(4-6-11)13-17-12-7-10(15)8-16-14(12)18-13/h3-8H,1-2H3,(H,16,17,18)
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n/an/a 4.97E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50216502
PNG
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)
Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1
Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20)
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n/an/a 5.47E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50330564
PNG
(CHEMBL1277473 | N-(4-Fluorobenzyl)-4-furan-2-methy...)
Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(F)cc1)c1ccco1
Show InChI InChI=1S/C22H17FN4O2/c1-13-19(21(28)25-15-10-8-14(23)9-11-15)20(18-7-4-12-29-18)27-17-6-3-2-5-16(17)26-22(27)24-13/h2-12,19-20H,1H3,(H,25,28)
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n/an/a 5.65E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330557
PNG
(CHEMBL1277383 | N-(3-Chloro-4-fluorobenzyl)-4-fura...)
Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1
Show InChI InChI=1S/C22H16ClFN4O2/c1-12-19(21(29)26-13-8-9-15(24)14(23)11-13)20(18-7-4-10-30-18)28-17-6-3-2-5-16(17)27-22(28)25-12/h2-11,19-20H,1H3,(H,26,29)
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n/an/a 5.73E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330564
PNG
(CHEMBL1277473 | N-(4-Fluorobenzyl)-4-furan-2-methy...)
Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(F)cc1)c1ccco1
Show InChI InChI=1S/C22H17FN4O2/c1-13-19(21(28)25-15-10-8-14(23)9-11-15)20(18-7-4-12-29-18)27-17-6-3-2-5-16(17)26-22(27)24-13/h2-12,19-20H,1H3,(H,25,28)
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n/an/a 6.15E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330560
PNG
(CHEMBL1277293 | N-(4-Methoxybenzyl)-4-furan-2-meth...)
Show SMILES COc1ccc(NC(=O)C2C(c3ccco3)n3c(nc4ccccc34)N=C2C)cc1
Show InChI InChI=1S/C23H20N4O3/c1-14-20(22(28)25-15-9-11-16(29-2)12-10-15)21(19-8-5-13-30-19)27-18-7-4-3-6-17(18)26-23(27)24-14/h3-13,20-21H,1-2H3,(H,25,28)
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n/an/a 7.58E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330565
PNG
(4-Furan-6-methyl-N-(4-fluorophenyl)-4,7-dihydro-2H...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)cc1)c1ccco1
Show InChI InChI=1S/C18H15FN4O2/c1-10-15(18(24)22-12-6-4-11(19)5-7-12)16(14-3-2-8-25-14)13-9-20-23-17(13)21-10/h2-9,15-16H,1H3,(H,20,23)(H,22,24)
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n/an/a 8.10E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330546
PNG
(4-Furan-6-methyl-N-(4-methoxyphenyl)-4,7-dihydro-2...)
Show SMILES COc1ccc(NC(=O)C2C(c3ccco3)c3cn[nH]c3N=C2C)cc1
Show InChI InChI=1S/C19H18N4O3/c1-11-16(19(24)22-12-5-7-13(25-2)8-6-12)17(15-4-3-9-26-15)14-10-20-23-18(14)21-11/h3-10,16-17H,1-2H3,(H,20,23)(H,22,24)
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n/an/a 9.25E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330565
PNG
(4-Furan-6-methyl-N-(4-fluorophenyl)-4,7-dihydro-2H...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)cc1)c1ccco1
Show InChI InChI=1S/C18H15FN4O2/c1-10-15(18(24)22-12-6-4-11(19)5-7-12)16(14-3-2-8-25-14)13-9-20-23-17(13)21-10/h2-9,15-16H,1H3,(H,20,23)(H,22,24)
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n/an/a 1.04E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330554
PNG
(4-Furan-6-methyl-N-(3-chloro-4-fluorophenyl)-4,7-d...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1
Show InChI InChI=1S/C18H14ClFN4O2/c1-9-15(18(25)23-10-4-5-13(20)12(19)7-10)16(14-3-2-6-26-14)11-8-21-24-17(11)22-9/h2-8,15-16H,1H3,(H,21,24)(H,23,25)
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n/an/a 1.50E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50330563
PNG
(CHEMBL1277294 | N-(4-Nitrobenzyl)-4-furan-2-methyl...)
Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1
Show InChI InChI=1S/C22H17N5O4/c1-13-19(21(28)24-14-8-10-15(11-9-14)27(29)30)20(18-7-4-12-31-18)26-17-6-3-2-5-16(17)25-22(26)23-13/h2-12,19-20H,1H3,(H,24,28)
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n/an/a 2.09E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50224731
PNG
(4-(6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dim...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)cc2[nH]1
Show InChI InChI=1S/C14H13ClN4/c1-19(2)11-5-3-9(4-6-11)13-17-12-7-10(15)8-16-14(12)18-13/h3-8H,1-2H3,(H,16,17,18)
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n/an/a 4.02E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330550
PNG
(CHEMBL1277474 | N-(4-chlorophenyl)-2,7,7-trimethyl...)
Show SMILES CC1=C(C(C2C(=O)CC(C)(C)CC2=N1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O2/c1-15-21(24(30)28-18-11-9-17(26)10-12-18)22(16-7-5-4-6-8-16)23-19(27-15)13-25(2,3)14-20(23)29/h4-12,22-23H,13-14H2,1-3H3,(H,28,30)
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n/an/a 4.03E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330552
PNG
(4-Thiophene-6-methyl-N-(4-trifluoromethylphenyl)-4...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1cccs1
Show InChI InChI=1S/C19H15F3N4OS/c1-10-15(18(27)25-12-6-4-11(5-7-12)19(20,21)22)16(14-3-2-8-28-14)13-9-23-26-17(13)24-10/h2-9,15-16H,1H3,(H,23,26)(H,25,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330547
PNG
(4-Thiophene-6-methyl-N-(4-methoxyphenyl)-4,7-dihyd...)
Show SMILES COc1ccc(NC(=O)C2C(c3cccs3)c3cn[nH]c3N=C2C)cc1
Show InChI InChI=1S/C19H18N4O2S/c1-11-16(19(24)22-12-5-7-13(25-2)8-6-12)17(15-4-3-9-26-15)14-10-20-23-18(14)21-11/h3-10,16-17H,1-2H3,(H,20,23)(H,22,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330548
PNG
(4-Phenyl-6-methyl-N-(4-fluorophenyl)-4,7-dihydro-2...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C20H17FN4O/c1-12-17(20(26)24-15-9-7-14(21)8-10-15)18(13-5-3-2-4-6-13)16-11-22-25-19(16)23-12/h2-11,17-18H,1H3,(H,22,25)(H,24,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330549
PNG
(4-Phenyl-6-methyl-N-(3-chloro-4-fluorophenyl)-4,7-...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C20H16ClFN4O/c1-11-17(20(27)25-13-7-8-16(22)15(21)9-13)18(12-5-3-2-4-6-12)14-10-23-26-19(14)24-11/h2-10,17-18H,1H3,(H,23,26)(H,25,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330558
PNG
(4-Furan-6-methyl-N-(4-trifluoromethylphenyl)-4,7-d...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccco1
Show InChI InChI=1S/C19H15F3N4O2/c1-10-15(18(27)25-12-6-4-11(5-7-12)19(20,21)22)16(14-3-2-8-28-14)13-9-23-26-17(13)24-10/h2-9,15-16H,1H3,(H,23,26)(H,25,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330553
PNG
(4-Phenyl-6-methyl-N-(4-trifluoromethylphenyl)-4,7-...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C21H17F3N4O/c1-12-17(20(29)27-15-9-7-14(8-10-15)21(22,23)24)18(13-5-3-2-4-6-13)16-11-25-28-19(16)26-12/h2-11,17-18H,1H3,(H,25,28)(H,27,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330556
PNG
(4-Thiophene-6-methyl-N-(4-nitrophenyl)-4,7-dihydro...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1cccs1
Show InChI InChI=1S/C18H15N5O3S/c1-10-15(18(24)21-11-4-6-12(7-5-11)23(25)26)16(14-3-2-8-27-14)13-9-19-22-17(13)20-10/h2-9,15-16H,1H3,(H,19,22)(H,21,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330551
PNG
(4-Phenyl-6-methyl-N-(4-nitrophenyl)-4,7-dihydro-2H...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C20H17N5O3/c1-12-17(20(26)23-14-7-9-15(10-8-14)25(27)28)18(13-5-3-2-4-6-13)16-11-21-24-19(16)22-12/h2-11,17-18H,1H3,(H,21,24)(H,23,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50198311
PNG
((R)-N-(1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquina...)
Show SMILES CC[C@@H](N(CCCN(C)C)C(=O)c1ccc(Br)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H32BrClN4O2/c1-4-27(35(18-8-17-34(2)3)29(37)22-11-13-23(31)14-12-22)28-33-26-19-24(32)15-16-25(26)30(38)36(28)20-21-9-6-5-7-10-21/h5-7,9-16,19,27H,4,8,17-18,20H2,1-3H3/t27-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330555
PNG
(4-Thiophene-6-methyl-N-(3-chloro-4-fluorophenyl)-4...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1cccs1
Show InChI InChI=1S/C18H14ClFN4OS/c1-9-15(18(25)23-10-4-5-13(20)12(19)7-10)16(14-3-2-6-26-14)11-8-21-24-17(11)22-9/h2-8,15-16H,1H3,(H,21,24)(H,23,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330562
PNG
(4-Phenyl-6-methyl-N-(4-methoxyphenyl)-4,7-dihydro-...)
Show SMILES COc1ccc(NC(=O)C2C(c3cn[nH]c3N=C2C)c2ccccc2)cc1
Show InChI InChI=1S/C21H20N4O2/c1-13-18(21(26)24-15-8-10-16(27-2)11-9-15)19(14-6-4-3-5-7-14)17-12-22-25-20(17)23-13/h3-12,18-19H,1-2H3,(H,22,25)(H,24,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50330561
PNG
(4-Furan-6-methyl-N-(4-nitrophenyl)-4,7-dihydro-2Hp...)
Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1
Show InChI InChI=1S/C18H15N5O4/c1-10-15(18(24)21-11-4-6-12(7-5-11)23(25)26)16(14-3-2-8-27-14)13-9-19-22-17(13)20-10/h2-9,15-16H,1H3,(H,19,22)(H,21,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50216502
PNG
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)
Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1
Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%