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PubMed code 32371117

Compile data set for download or QSAR
Found 20 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
Aurora kinase A


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora A using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50004231
PNG
(CHEMBL3237167)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C19H25N9O2S/c1-13-11-17(26-25-13)22-16-12-18(28-9-7-27(2)8-10-28)24-19(23-16)21-14-3-5-15(6-4-14)31(20,29)30/h3-6,11-12H,7-10H2,1-2H3,(H2,20,29,30)(H3,21,22,23,24,25,26)
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n/an/a 5n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of AURKA (unknown origin)

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50543797
PNG
(CHEMBL4637300)
Show SMILES CCOC(=O)c1cnc2cc(Cl)cc(Cl)c2c1Nc1cccc(c1)S(=O)(=O)NC
Show InChI InChI=1S/C19H17Cl2N3O4S/c1-3-28-19(25)14-10-23-16-8-11(20)7-15(21)17(16)18(14)24-12-5-4-6-13(9-12)29(26,27)22-2/h4-10,22H,3H2,1-2H3,(H,23,24)
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n/an/a 90n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM14210
PNG
(4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-mo...)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)
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n/an/a 110n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of AURKA (unknown origin)

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM14210
PNG
(4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-mo...)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)
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n/an/a 130n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of AURKB (unknown origin)

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50543797
PNG
(CHEMBL4637300)
Show SMILES CCOC(=O)c1cnc2cc(Cl)cc(Cl)c2c1Nc1cccc(c1)S(=O)(=O)NC
Show InChI InChI=1S/C19H17Cl2N3O4S/c1-3-28-19(25)14-10-23-16-8-11(20)7-15(21)17(16)18(14)24-12-5-4-6-13(9-12)29(26,27)22-2/h4-10,22H,3H2,1-2H3,(H,23,24)
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n/an/a 930n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora A using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50543800
PNG
(CHEMBL4645713)
Show SMILES CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C20H21N3O4S/c1-4-27-20(24)17-12-21-18-9-8-13(2)10-16(18)19(17)22-14-6-5-7-15(11-14)23-28(3,25)26/h5-12,23H,4H2,1-3H3,(H,21,22)
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n/an/a 980n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora A using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50543799
PNG
(CHEMBL4640153)
Show SMILES CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C19H18BrN3O4S/c1-3-27-19(24)16-11-21-17-8-7-12(20)9-15(17)18(16)22-13-5-4-6-14(10-13)23-28(2,25)26/h4-11,23H,3H2,1-2H3,(H,21,22)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50543801
PNG
(CHEMBL4648901)
Show SMILES CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H16BrN3O4S/c1-2-26-18(23)15-10-21-16-7-6-11(19)8-14(16)17(15)22-12-4-3-5-13(9-12)27(20,24)25/h3-10H,2H2,1H3,(H,21,22)(H2,20,24,25)
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n/an/a 1.62E+3n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50543799
PNG
(CHEMBL4640153)
Show SMILES CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C19H18BrN3O4S/c1-3-27-19(24)16-11-21-17-8-7-12(20)9-15(17)18(16)22-13-5-4-6-14(10-13)23-28(2,25)26/h4-11,23H,3H2,1-2H3,(H,21,22)
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n/an/a 1.77E+3n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora A using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50543800
PNG
(CHEMBL4645713)
Show SMILES CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C20H21N3O4S/c1-4-27-20(24)17-12-21-18-9-8-13(2)10-16(18)19(17)22-14-6-5-7-15(11-14)23-28(3,25)26/h5-12,23H,4H2,1-3H3,(H,21,22)
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n/an/a 2.99E+3n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50543796
PNG
(CHEMBL4635411)
Show SMILES CCOC(=O)c1cnc2cc(Cl)cc(Cl)c2c1Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H15Cl2N3O4S/c1-2-27-18(24)13-9-22-15-7-10(19)6-14(20)16(15)17(13)23-11-4-3-5-12(8-11)28(21,25)26/h3-9H,2H2,1H3,(H,22,23)(H2,21,25,26)
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n/an/a 6.89E+3n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50543796
PNG
(CHEMBL4635411)
Show SMILES CCOC(=O)c1cnc2cc(Cl)cc(Cl)c2c1Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H15Cl2N3O4S/c1-2-27-18(24)13-9-22-15-7-10(19)6-14(20)16(15)17(13)23-11-4-3-5-12(8-11)28(21,25)26/h3-9H,2H2,1H3,(H,22,23)(H2,21,25,26)
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n/an/a 7.64E+3n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora A using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50543802
PNG
(CHEMBL4644959)
Show SMILES CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C19H19N3O4S/c1-3-26-19(23)16-11-21-17-8-7-12(2)9-15(17)18(16)22-13-5-4-6-14(10-13)27(20,24)25/h4-11H,3H2,1-2H3,(H,21,22)(H2,20,24,25)
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n/an/a 8.33E+3n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50543803
PNG
(CHEMBL4639147)
Show SMILES CCOC(=O)c1cnc2c(Cl)ccc(Cl)c2c1Nc1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C19H17Cl2N3O4S/c1-3-28-19(25)13-10-22-18-15(21)8-7-14(20)16(18)17(13)23-11-5-4-6-12(9-11)24-29(2,26)27/h4-10,24H,3H2,1-2H3,(H,22,23)
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n/an/a 1.15E+4n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50543795
PNG
(CHEMBL4645551)
Show SMILES CCOC(=O)c1cnc2ccccc2c1Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N3O4S/c1-2-25-18(22)15-11-20-16-9-4-3-8-14(16)17(15)21-12-6-5-7-13(10-12)26(19,23)24/h3-11H,2H2,1H3,(H,20,21)(H2,19,23,24)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50543798
PNG
(CHEMBL4641064)
Show SMILES CCOC(=O)c1cnc2ccccc2c1Nc1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C19H19N3O4S/c1-3-26-19(23)16-12-20-17-10-5-4-9-15(17)18(16)21-13-7-6-8-14(11-13)22-27(2,24)25/h4-12,22H,3H2,1-2H3,(H,20,21)
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n/an/a 1.32E+4n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50543798
PNG
(CHEMBL4641064)
Show SMILES CCOC(=O)c1cnc2ccccc2c1Nc1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C19H19N3O4S/c1-3-26-19(23)16-12-20-17-10-5-4-9-15(17)18(16)21-13-7-6-8-14(11-13)22-27(2,24)25/h4-12,22H,3H2,1-2H3,(H,20,21)
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n/an/a 1.34E+4n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora A using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50543795
PNG
(CHEMBL4645551)
Show SMILES CCOC(=O)c1cnc2ccccc2c1Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N3O4S/c1-2-25-18(22)15-11-20-16-9-4-3-8-14(16)17(15)21-12-6-5-7-13(10-12)26(19,23)24/h3-11H,2H2,1H3,(H,20,21)(H2,19,23,24)
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UniChem
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n/an/a 1.66E+4n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora A using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115525
BindingDB Entry DOI: 10.7270/Q2ZP49PD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%