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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 2748   
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 Spindle Protein Eg5


(Homo sapiens)
BDBM24127
PNG
((4R)-4-(3-hydroxyphenyl)-N,N,7,8-tetramethyl-1,2,3...)
Show SMILES CN(C)C(=O)N1C[C@H](c2cccc(O)c2)c2ccc(C)c(C)c2C1
Show InChI InChI=1S/C20H24N2O2/c1-13-8-9-17-18(14(13)2)11-22(20(24)21(3)4)12-19(17)15-6-5-7-16(23)10-15/h5-10,19,23H,11-12H2,1-4H3/t19-/m1/s1
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Article
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n/an/a 104n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24128
PNG
(4-(3-hydroxyphenyl)-N,N,7,8-tetramethyl-1,2,3,4-te...)
Show SMILES CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(C)c(C)c2C1
Show InChI InChI=1S/C20H24N2O2/c1-13-8-9-17-18(14(13)2)11-22(20(24)21(3)4)12-19(17)15-6-5-7-16(23)10-15/h5-10,19,23H,11-12H2,1-4H3
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n/an/a 306n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24136
PNG
(4-(3-hydroxyphenyl)-7-iodo-N,N-dimethyl-1,2,3,4-te...)
Show SMILES CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(I)cc2C1
Show InChI InChI=1S/C18H19IN2O2/c1-20(2)18(23)21-10-13-8-14(19)6-7-16(13)17(11-21)12-4-3-5-15(22)9-12/h3-9,17,22H,10-11H2,1-2H3
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n/an/a 317n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24143
PNG
(8-ethyl-4-(3-hydroxyphenyl)-N,N-dimethyl-1,2,3,4-t...)
Show SMILES CCc1cccc2C(CN(Cc12)C(=O)N(C)C)c1cccc(O)c1
Show InChI InChI=1S/C20H24N2O2/c1-4-14-7-6-10-17-18(14)12-22(20(24)21(2)3)13-19(17)15-8-5-9-16(23)11-15/h5-11,19,23H,4,12-13H2,1-3H3
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n/an/a 344n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24147
PNG
(6-(3-hydroxyphenyl)-N,N-dimethyl-4-azatricyclo[8.4...)
Show SMILES CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc3ccccc3c2C1
Show InChI InChI=1S/C22H22N2O2/c1-23(2)22(26)24-13-20(16-7-5-8-17(25)12-16)19-11-10-15-6-3-4-9-18(15)21(19)14-24/h3-12,20,25H,13-14H2,1-2H3
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n/an/a 477n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24137
PNG
(4-(3-hydroxyphenyl)-N,N,7-trimethyl-1,2,3,4-tetrah...)
Show SMILES CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(C)cc2C1
Show InChI InChI=1S/C19H22N2O2/c1-13-7-8-17-15(9-13)11-21(19(23)20(2)3)12-18(17)14-5-4-6-16(22)10-14/h4-10,18,22H,11-12H2,1-3H3
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n/an/a 595n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24138
PNG
(4-(3-hydroxyphenyl)-7-methoxy-N,N-dimethyl-1,2,3,4...)
Show SMILES COc1ccc2C(CN(Cc2c1)C(=O)N(C)C)c1cccc(O)c1
Show InChI InChI=1S/C19H22N2O3/c1-20(2)19(23)21-11-14-10-16(24-3)7-8-17(14)18(12-21)13-5-4-6-15(22)9-13/h4-10,18,22H,11-12H2,1-3H3
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n/an/a 617n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24148
PNG
(10-(3-hydroxyphenyl)-N,N-dimethyl-3-oxa-12-azatric...)
Show SMILES CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc3CCOc3c2C1
Show InChI InChI=1S/C20H22N2O3/c1-21(2)20(24)22-11-17(14-4-3-5-15(23)10-14)16-7-6-13-8-9-25-19(13)18(16)12-22/h3-7,10,17,23H,8-9,11-12H2,1-2H3
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n/an/a 639n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24135
PNG
(7-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-1,2,3,4-t...)
Show SMILES CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(Br)cc2C1
Show InChI InChI=1S/C18H19BrN2O2/c1-20(2)18(23)21-10-13-8-14(19)6-7-16(13)17(11-21)12-4-3-5-15(22)9-12/h3-9,17,22H,10-11H2,1-2H3
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n/an/a 808n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24146
PNG
(7,8-dichloro-4-(3-hydroxyphenyl)-N,N-dimethyl-1,2,...)
Show SMILES CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(Cl)c(Cl)c2C1
Show InChI InChI=1S/C18H18Cl2N2O2/c1-21(2)18(24)22-9-14(11-4-3-5-12(23)8-11)13-6-7-16(19)17(20)15(13)10-22/h3-8,14,23H,9-10H2,1-2H3
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n/an/a 1.27E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24144
PNG
(4-(3-hydroxyphenyl)-8-methoxy-N,N-dimethyl-1,2,3,4...)
Show SMILES COc1cccc2C(CN(Cc12)C(=O)N(C)C)c1cccc(O)c1
Show InChI InChI=1S/C19H22N2O3/c1-20(2)19(23)21-11-16(13-6-4-7-14(22)10-13)15-8-5-9-18(24-3)17(15)12-21/h4-10,16,22H,11-12H2,1-3H3
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n/an/a 1.78E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24110
PNG
(2-(7,8-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquin...)
Show SMILES Cc1ccc2C(CN(CCN)Cc2c1C)c1ccccc1
Show InChI InChI=1S/C19H24N2/c1-14-8-9-17-18(15(14)2)12-21(11-10-20)13-19(17)16-6-4-3-5-7-16/h3-9,19H,10-13,20H2,1-2H3
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n/an/a 2.27E+3n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24134
PNG
(7-chloro-4-(3-hydroxyphenyl)-N,N-dimethyl-1,2,3,4-...)
Show SMILES CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(Cl)cc2C1
Show InChI InChI=1S/C18H19ClN2O2/c1-20(2)18(23)21-10-13-8-14(19)6-7-16(13)17(11-21)12-4-3-5-15(22)9-12/h3-9,17,22H,10-11H2,1-2H3
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n/an/a 2.49E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24123
PNG
(N,N,7,8-tetramethyl-4-phenyl-1,2,3,4-tetrahydroiso...)
Show SMILES CN(C)C(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
Show InChI InChI=1S/C20H24N2O/c1-14-10-11-17-18(15(14)2)12-22(20(23)21(3)4)13-19(17)16-8-6-5-7-9-16/h5-11,19H,12-13H2,1-4H3
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n/an/a 2.75E+3n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24111
PNG
(3-(7,8-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquin...)
Show SMILES Cc1ccc2C(CN(CCCN)Cc2c1C)c1ccccc1
Show InChI InChI=1S/C20H26N2/c1-15-9-10-18-19(16(15)2)13-22(12-6-11-21)14-20(18)17-7-4-3-5-8-17/h3-5,7-10,20H,6,11-14,21H2,1-2H3
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n/an/a 3.06E+3n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24131
PNG
(4-(3-chlorophenyl)-N,N,7,8-tetramethyl-1,2,3,4-tet...)
Show SMILES CN(C)C(=O)N1CC(c2cccc(Cl)c2)c2ccc(C)c(C)c2C1
Show InChI InChI=1S/C20H23ClN2O/c1-13-8-9-17-18(14(13)2)11-23(20(24)22(3)4)12-19(17)15-6-5-7-16(21)10-15/h5-10,19H,11-12H2,1-4H3
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n/an/a 3.48E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24112
PNG
(4-(7,8-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquin...)
Show SMILES Cc1ccc2C(CN(CCCCN)Cc2c1C)c1ccccc1
Show InChI InChI=1S/C21H28N2/c1-16-10-11-19-20(17(16)2)14-23(13-7-6-12-22)15-21(19)18-8-4-3-5-9-18/h3-5,8-11,21H,6-7,12-15,22H2,1-2H3
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n/an/a 4.65E+3n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24142
PNG
(4-(3-hydroxyphenyl)-N,N,8-trimethyl-1,2,3,4-tetrah...)
Show SMILES CN(C)C(=O)N1CC(c2cccc(O)c2)c2cccc(C)c2C1
Show InChI InChI=1S/C19H22N2O2/c1-13-6-4-9-16-17(13)11-21(19(23)20(2)3)12-18(16)14-7-5-8-15(22)10-14/h4-10,18,22H,11-12H2,1-3H3
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n/an/a 4.71E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24115
PNG
([4-(7,8-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoqui...)
Show SMILES CN(C)CCCCN1CC(c2ccccc2)c2ccc(C)c(C)c2C1
Show InChI InChI=1S/C23H32N2/c1-18-12-13-21-22(19(18)2)16-25(15-9-8-14-24(3)4)17-23(21)20-10-6-5-7-11-20/h5-7,10-13,23H,8-9,14-17H2,1-4H3
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n/an/a 5.36E+3n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24126
PNG
(N-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phen...)
Show SMILES CN(C)CCCN(C)C(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
Show InChI InChI=1S/C24H33N3O/c1-18-12-13-21-22(19(18)2)16-27(17-23(21)20-10-7-6-8-11-20)24(28)26(5)15-9-14-25(3)4/h6-8,10-13,23H,9,14-17H2,1-5H3
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n/an/a 5.44E+3n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24105
PNG
(7,8-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoli...)
Show SMILES Cc1ccc2C(CNCc2c1C)c1ccccc1
Show InChI InChI=1S/C17H19N/c1-12-8-9-15-16(13(12)2)10-18-11-17(15)14-6-4-3-5-7-14/h3-9,17-18H,10-11H2,1-2H3
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n/an/a 8.33E+3n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24114
PNG
([3-(7,8-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoqui...)
Show SMILES CN(C)CCCN1CC(c2ccccc2)c2ccc(C)c(C)c2C1
Show InChI InChI=1S/C22H30N2/c1-17-11-12-20-21(18(17)2)15-24(14-8-13-23(3)4)16-22(20)19-9-6-5-7-10-19/h5-7,9-12,22H,8,13-16H2,1-4H3
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n/an/a 8.88E+3n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24108
PNG
(7,8-dimethyl-4-phenyl-2-(propan-2-yl)-1,2,3,4-tetr...)
Show SMILES CC(C)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
Show InChI InChI=1S/C20H25N/c1-14(2)21-12-19-16(4)15(3)10-11-18(19)20(13-21)17-8-6-5-7-9-17/h5-11,14,20H,12-13H2,1-4H3
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n/an/a 1.10E+4n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24145
PNG
(4-(3-hydroxyphenyl)-7,8-dimethoxy-N,N-dimethyl-1,2...)
Show SMILES COc1ccc2C(CN(Cc2c1OC)C(=O)N(C)C)c1cccc(O)c1
Show InChI InChI=1S/C20H24N2O4/c1-21(2)20(24)22-11-16(13-6-5-7-14(23)10-13)15-8-9-18(25-3)19(26-4)17(15)12-22/h5-10,16,23H,11-12H2,1-4H3
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n/an/a 1.28E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24125
PNG
(7,8-dimethyl-4-phenyl-2-(piperidin-1-ylcarbonyl)-1...)
Show SMILES Cc1ccc2C(CN(Cc2c1C)C(=O)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H28N2O/c1-17-11-12-20-21(18(17)2)15-25(23(26)24-13-7-4-8-14-24)16-22(20)19-9-5-3-6-10-19/h3,5-6,9-12,22H,4,7-8,13-16H2,1-2H3
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n/an/a 1.28E+4n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24130
PNG
(N,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-...)
Show SMILES CN(C)C(=O)N1CC(c2cccc(c2)C(F)(F)F)c2ccc(C)c(C)c2C1
Show InChI InChI=1S/C21H23F3N2O/c1-13-8-9-17-18(14(13)2)11-26(20(27)25(3)4)12-19(17)15-6-5-7-16(10-15)21(22,23)24/h5-10,19H,11-12H2,1-4H3
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n/an/a 1.32E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24119
PNG
(methyl 7,8-dimethyl-4-phenyl-1,2,3,4-tetrahydroiso...)
Show SMILES COC(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
Show InChI InChI=1S/C19H21NO2/c1-13-9-10-16-17(14(13)2)11-20(19(21)22-3)12-18(16)15-7-5-4-6-8-15/h4-10,18H,11-12H2,1-3H3
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n/an/a 1.44E+4n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24117
PNG
(2-benzoyl-7,8-dimethyl-4-phenyl-1,2,3,4-tetrahydro...)
Show SMILES Cc1ccc2C(CN(Cc2c1C)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H23NO/c1-17-13-14-21-22(18(17)2)15-25(24(26)20-11-7-4-8-12-20)16-23(21)19-9-5-3-6-10-19/h3-14,23H,15-16H2,1-2H3
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n/an/a 1.64E+4n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24116
PNG
(1-(7,8-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquin...)
Show SMILES CC(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
Show InChI InChI=1S/C19H21NO/c1-13-9-10-17-18(14(13)2)11-20(15(3)21)12-19(17)16-7-5-4-6-8-16/h4-10,19H,11-12H2,1-3H3
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n/an/a 1.79E+4n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24106
PNG
(2,7,8-trimethyl-4-phenyl-1,2,3,4-tetrahydroisoquin...)
Show SMILES CN1CC(c2ccccc2)c2ccc(C)c(C)c2C1
Show InChI InChI=1S/C18H21N/c1-13-9-10-16-17(14(13)2)11-19(3)12-18(16)15-7-5-4-6-8-15/h4-10,18H,11-12H2,1-3H3
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n/an/a 1.84E+4n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24124
PNG
(4-[(7,8-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoqui...)
Show SMILES Cc1ccc2C(CN(Cc2c1C)C(=O)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C22H26N2O2/c1-16-8-9-19-20(17(16)2)14-24(22(25)23-10-12-26-13-11-23)15-21(19)18-6-4-3-5-7-18/h3-9,21H,10-15H2,1-2H3
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n/an/a 2.23E+4n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24141
PNG
(8-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-1,2,3,4-t...)
Show SMILES CN(C)C(=O)N1CC(c2cccc(O)c2)c2cccc(Br)c2C1
Show InChI InChI=1S/C18H19BrN2O2/c1-20(2)18(23)21-10-15(12-5-3-6-13(22)9-12)14-7-4-8-17(19)16(14)11-21/h3-9,15,22H,10-11H2,1-2H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24140
PNG
(8-chloro-4-(3-hydroxyphenyl)-N,N-dimethyl-1,2,3,4-...)
Show SMILES CN(C)C(=O)N1CC(c2cccc(O)c2)c2cccc(Cl)c2C1
Show InChI InChI=1S/C18H19ClN2O2/c1-20(2)18(23)21-10-15(12-5-3-6-13(22)9-12)14-7-4-8-17(19)16(14)11-21/h3-9,15,22H,10-11H2,1-2H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24139
PNG
(8-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-1,2,3,4-...)
Show SMILES CN(C)C(=O)N1CC(c2cccc(O)c2)c2cccc(F)c2C1
Show InChI InChI=1S/C18H19FN2O2/c1-20(2)18(23)21-10-15(12-5-3-6-13(22)9-12)14-7-4-8-17(19)16(14)11-21/h3-9,15,22H,10-11H2,1-2H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24109
PNG
(7,8-dimethyl-4-phenyl-2-(2-phenylethyl)-1,2,3,4-te...)
Show SMILES Cc1ccc2C(CN(CCc3ccccc3)Cc2c1C)c1ccccc1
Show InChI InChI=1S/C25H27N/c1-19-13-14-23-24(20(19)2)17-26(16-15-21-9-5-3-6-10-21)18-25(23)22-11-7-4-8-12-22/h3-14,25H,15-18H2,1-2H3
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n/an/a>2.50E+4n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24118
PNG
(2-methanesulfonyl-7,8-dimethyl-4-phenyl-1,2,3,4-te...)
Show SMILES Cc1ccc2C(CN(Cc2c1C)S(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C18H21NO2S/c1-13-9-10-16-17(14(13)2)11-19(22(3,20)21)12-18(16)15-7-5-4-6-8-15/h4-10,18H,11-12H2,1-3H3
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n/an/a>2.50E+4n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24133
PNG
(7-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-1,2,3,4-...)
Show SMILES CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(F)cc2C1
Show InChI InChI=1S/C18H19FN2O2/c1-20(2)18(23)21-10-13-8-14(19)6-7-16(13)17(11-21)12-4-3-5-15(22)9-12/h3-9,17,22H,10-11H2,1-2H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24132
PNG
(4-(3-hydroxyphenyl)-N,N-dimethyl-1,2,3,4-tetrahydr...)
Show SMILES CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20N2O2/c1-19(2)18(22)20-11-14-6-3-4-9-16(14)17(12-20)13-7-5-8-15(21)10-13/h3-10,17,21H,11-12H2,1-2H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24120
PNG
(ethyl 7,8-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoq...)
Show SMILES CCOC(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
Show InChI InChI=1S/C20H23NO2/c1-4-23-20(22)21-12-18-15(3)14(2)10-11-17(18)19(13-21)16-8-6-5-7-9-16/h5-11,19H,4,12-13H2,1-3H3
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n/an/a>2.50E+4n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24129
PNG
(4-(4-hydroxyphenyl)-N,N,7,8-tetramethyl-1,2,3,4-te...)
Show SMILES CN(C)C(=O)N1CC(c2ccc(O)cc2)c2ccc(C)c(C)c2C1
Show InChI InChI=1S/C20H24N2O2/c1-13-5-10-17-18(14(13)2)11-22(20(24)21(3)4)12-19(17)15-6-8-16(23)9-7-15/h5-10,19,23H,11-12H2,1-4H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24121
PNG
(7,8-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoli...)
Show SMILES Cc1ccc2C(CN(Cc2c1C)C(N)=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-12-8-9-15-16(13(12)2)10-20(18(19)21)11-17(15)14-6-4-3-5-7-14/h3-9,17H,10-11H2,1-2H3,(H2,19,21)
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n/an/a>2.50E+4n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24122
PNG
(N,7,8-trimethyl-4-phenyl-1,2,3,4-tetrahydroisoquin...)
Show SMILES CNC(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
Show InChI InChI=1S/C19H22N2O/c1-13-9-10-16-17(14(13)2)11-21(19(22)20-3)12-18(16)15-7-5-4-6-8-15/h4-10,18H,11-12H2,1-3H3,(H,20,22)
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n/an/a>2.50E+4n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24113
PNG
(7,8-dimethyl-4-phenyl-2-[2-(1H-pyrrol-1-yl)ethyl]-...)
Show SMILES Cc1ccc2C(CN(CCn3cccc3)Cc2c1C)c1ccccc1
Show InChI InChI=1S/C23H26N2/c1-18-10-11-21-22(19(18)2)16-25(15-14-24-12-6-7-13-24)17-23(21)20-8-4-3-5-9-20/h3-13,23H,14-17H2,1-2H3
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n/an/a>2.50E+4n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24107
PNG
(2-ethyl-7,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrois...)
Show SMILES CCN1CC(c2ccccc2)c2ccc(C)c(C)c2C1
Show InChI InChI=1S/C19H23N/c1-4-20-12-18-15(3)14(2)10-11-17(18)19(13-20)16-8-6-5-7-9-16/h5-11,19H,4,12-13H2,1-3H3
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n/an/a 2.52E+4n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).


Bioorg Med Chem Lett 16: 2095-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.056
BindingDB Entry DOI: 10.7270/Q2VM49KF
More data for this
Ligand-Target Pair