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15 molecules are shown

Wt: 310.3
BDBM24142
Wt: 324.4
BDBM24143
Wt: 280.3
BDBM24121
Wt: 294.3
BDBM24122
Wt: 308.4
BDBM24123
Wt: 348.4
BDBM24125
Wt: 379.5
BDBM24126
Wt: 324.4
BDBM24127
Wt: 324.4
BDBM24128
Wt: 324.4
BDBM24129
Wt: 296.3
BDBM24132
Wt: 375.2
BDBM24135
Wt: 422.2
BDBM24136
Wt: 346.4
BDBM24147
Wt: 310.3
BDBM24137

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 24142,24143,24121,24122,24123,24125,24126,24127,24128,24129,24132,24135,24136,24147,24137   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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-like protein 1


(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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n/an/a 104n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of KSP


Bioorg Med Chem Lett 17: 722-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.083
BindingDB Entry DOI: 10.7270/Q2HT2Q4S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
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)
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)
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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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)
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)
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)
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)
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)
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)
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)
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-like protein 1


(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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of KSP


Bioorg Med Chem Lett 17: 722-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.083
BindingDB Entry DOI: 10.7270/Q2HT2Q4S
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(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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n/an/a 306n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of KSP


Bioorg Med Chem Lett 17: 722-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.083
BindingDB Entry DOI: 10.7270/Q2HT2Q4S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)