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PubMed code 17498954

Compile data set for download or QSAR
Found 33 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 KIF11


(Homo sapiens (Human))		BDBM24170
PNG
(3-N,3-N-diethyl-5-methyl-2-N-(thiophene-2-)-4,5,6,...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)Cc12
Show InChI InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-13-11-12(3)8-9-14(13)25-18(16)20-17(22)15-7-6-10-24-15/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22)
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n/an/a 480n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24152
PNG
(3-N,3-N-diethyl-2-N-(thiophene-2-)-4,5,6,7-tetrahy...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
Show InChI InChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-12-8-5-6-9-13(12)24-17(15)19-16(21)14-10-7-11-23-14/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,21)
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n/an/a 1.70E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24165
PNG
(N-[3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1...)
Show SMILES O=C(Nc1sc2CCCCc2c1C(=O)N1CCCCC1)c1cccs1
Show InChI InChI=1S/C19H22N2O2S2/c22-17(15-9-6-12-24-15)20-18-16(13-7-2-3-8-14(13)25-18)19(23)21-10-4-1-5-11-21/h6,9,12H,1-5,7-8,10-11H2,(H,20,22)
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n/an/a 2.80E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24174
PNG
(3-N,3-N-diethyl-5,5-dimethyl-2-N-(thiophene-2-)-4,...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)(C)Cc12
Show InChI InChI=1S/C20H26N2O2S2/c1-5-22(6-2)19(24)16-13-12-20(3,4)10-9-14(13)26-18(16)21-17(23)15-8-7-11-25-15/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,23)
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n/an/a 3.10E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24179
PNG
(N-[3-(diethylcarbamoyl)-4H,5H,7H-thieno[2,3-c]thio...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CSCCc12
Show InChI InChI=1S/C17H20N2O2S3/c1-3-19(4-2)17(21)14-11-7-9-22-10-13(11)24-16(14)18-15(20)12-6-5-8-23-12/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,18,20)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24173
PNG
(N-[3-(diethylcarbamoyl)-5-methyl-4H,5H,6H-cyclopen...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)Cc12
Show InChI InChI=1S/C18H22N2O2S2/c1-4-20(5-2)18(22)15-12-9-11(3)10-14(12)24-17(15)19-16(21)13-7-6-8-23-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,19,21)
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n/an/a 3.50E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24164
PNG
(N-[3-(pyrrolidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-...)
Show SMILES O=C(Nc1sc2CCCCc2c1C(=O)N1CCCC1)c1cccs1
Show InChI InChI=1S/C18H20N2O2S2/c21-16(14-8-5-11-23-14)19-17-15(18(22)20-9-3-4-10-20)12-6-1-2-7-13(12)24-17/h5,8,11H,1-4,6-7,9-10H2,(H,19,21)
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n/an/a 3.90E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24153
PNG
(N-[3-(diethylcarbamoyl)-4H,5H,6H,7H,8H-cyclohepta[...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCCc12
Show InChI InChI=1S/C19H24N2O2S2/c1-3-21(4-2)19(23)16-13-9-6-5-7-10-14(13)25-18(16)20-17(22)15-11-8-12-24-15/h8,11-12H,3-7,9-10H2,1-2H3,(H,20,22)
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n/an/a 4.10E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24166
PNG
(N-[3-(morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1...)
Show SMILES O=C(Nc1sc2CCCCc2c1C(=O)N1CCOCC1)c1cccs1
Show InChI InChI=1S/C18H20N2O3S2/c21-16(14-6-3-11-24-14)19-17-15(12-4-1-2-5-13(12)25-17)18(22)20-7-9-23-10-8-20/h3,6,11H,1-2,4-5,7-10H2,(H,19,21)
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n/an/a 4.30E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24171
PNG
(3-N,3-N-diethyl-6-methyl-2-N-(thiophene-2-)-4,5,6,...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)CCc12
Show InChI InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-13-9-8-12(3)11-15(13)25-18(16)20-17(22)14-7-6-10-24-14/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22)
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n/an/a 5.90E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24163
PNG
(3-N,3-N-dimethyl-2-N-(thiophene-2-)-4,5,6,7-tetrah...)
Show SMILES CN(C)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
Show InChI InChI=1S/C16H18N2O2S2/c1-18(2)16(20)13-10-6-3-4-7-11(10)22-15(13)17-14(19)12-8-5-9-21-12/h5,8-9H,3-4,6-7H2,1-2H3,(H,17,19)
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n/an/a 6.00E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24176
PNG
(3-N,3-N,5-triethyl-2-N-(thiophene-2-)-4,5,6,7-tetr...)
Show SMILES CCC1CCc2sc(NC(=O)c3cccs3)c(C(=O)N(CC)CC)c2C1
Show InChI InChI=1S/C20H26N2O2S2/c1-4-13-9-10-15-14(12-13)17(20(24)22(5-2)6-3)19(26-15)21-18(23)16-8-7-11-25-16/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,21,23)
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n/an/a 7.40E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24169
PNG
(3-N,3-N-diethyl-4-methyl-2-N-(thiophene-2-)-4,5,6,...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCC(C)c12
Show InChI InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-15-12(3)8-6-9-13(15)25-18(16)20-17(22)14-10-7-11-24-14/h7,10-12H,4-6,8-9H2,1-3H3,(H,20,22)
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n/an/a 7.50E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24172
PNG
(N-[3-(diethylcarbamoyl)-4-methyl-4H,5H,6H-cyclopen...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)c12
Show InChI InChI=1S/C18H22N2O2S2/c1-4-20(5-2)18(22)15-14-11(3)8-9-12(14)24-17(15)19-16(21)13-7-6-10-23-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,21)
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n/an/a 8.10E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24168
PNG
(3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2-N-(thiop...)
Show SMILES CN(C)CCN(C)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
Show InChI InChI=1S/C19H25N3O2S2/c1-21(2)10-11-22(3)19(24)16-13-7-4-5-8-14(13)26-18(16)20-17(23)15-9-6-12-25-15/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H,20,23)
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n/an/a 8.60E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24151
PNG
(N-[3-(diethylcarbamoyl)-4H,5H,6H-cyclopenta[b]thio...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCc12
Show InChI InChI=1S/C17H20N2O2S2/c1-3-19(4-2)17(21)14-11-7-5-8-12(11)23-16(14)18-15(20)13-9-6-10-22-13/h6,9-10H,3-5,7-8H2,1-2H3,(H,18,20)
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n/an/a 9.90E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24175
PNG
(3-N,3-N-diethyl-6,6-dimethyl-2-N-(thiophene-2-)-4,...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)(C)CCc12
Show InChI InChI=1S/C20H26N2O2S2/c1-5-22(6-2)19(24)16-13-9-10-20(3,4)12-15(13)26-18(16)21-17(23)14-8-7-11-25-14/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,23)
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n/an/a 1.20E+4n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24154
PNG
(3-N,3-N-diethyl-2-N-(thiophene-3-)-4,5,6,7-tetrahy...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2ccsc2)sc2CCCCc12
Show InChI InChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-13-7-5-6-8-14(13)24-17(15)19-16(21)12-9-10-23-11-12/h9-11H,3-8H2,1-2H3,(H,19,21)
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n/an/a 1.30E+4n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24156
PNG
(N-[3-(diethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzo...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2scnc2C)sc2CCCCc12
Show InChI InChI=1S/C18H23N3O2S2/c1-4-21(5-2)18(23)14-12-8-6-7-9-13(12)25-17(14)20-16(22)15-11(3)19-10-24-15/h10H,4-9H2,1-3H3,(H,20,22)
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n/an/a 1.70E+4n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24159
PNG
(N,N-diethyl-2-[2-(thiophen-2-yl)acetamido]-4,5,6,7...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)Cc2cccs2)sc2CCCCc12
Show InChI InChI=1S/C19H24N2O2S2/c1-3-21(4-2)19(23)17-14-9-5-6-10-15(14)25-18(17)20-16(22)12-13-8-7-11-24-13/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,22)
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n/an/a 2.00E+4n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24150
PNG
(3-N,3-N-diethyl-4,5-dimethyl-2-N-(thiophene-2-)thi...)
Show SMILES CCN(CC)C(=O)c1c(C)c(C)sc1NC(=O)c1cccs1
Show InChI InChI=1S/C16H20N2O2S2/c1-5-18(6-2)16(20)13-10(3)11(4)22-15(13)17-14(19)12-8-7-9-21-12/h7-9H,5-6H2,1-4H3,(H,17,19)
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n/an/a 2.30E+4n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24157
PNG
(N-[3-(diethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzo...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2ccco2)sc2CCCCc12
Show InChI InChI=1S/C18H22N2O3S/c1-3-20(4-2)18(22)15-12-8-5-6-10-14(12)24-17(15)19-16(21)13-9-7-11-23-13/h7,9,11H,3-6,8,10H2,1-2H3,(H,19,21)
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n/an/a 2.30E+4n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24178
PNG
(3-N,3-N-diethyl-2-N-(thiophene-2-)-4H,5H,7H-thieno...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2COCCc12
Show InChI InChI=1S/C17H20N2O3S2/c1-3-19(4-2)17(21)14-11-7-8-22-10-13(11)24-16(14)18-15(20)12-6-5-9-23-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,20)
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n/an/a 2.40E+4n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24167
PNG
(3-N-[2-(dimethylamino)ethyl]-2-N-(thiophene-2-)-4,...)
Show SMILES CN(C)CCNC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
Show InChI InChI=1S/C18H23N3O2S2/c1-21(2)10-9-19-17(23)15-12-6-3-4-7-13(12)25-18(15)20-16(22)14-8-5-11-24-14/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,19,23)(H,20,22)
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n/an/a 2.70E+4n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24158
PNG
(2-N-benzene-3-N,3-N-diethyl-4,5,6,7-tetrahydro-1-b...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2ccccc2)sc2CCCCc12
Show InChI InChI=1S/C20H24N2O2S/c1-3-22(4-2)20(24)17-15-12-8-9-13-16(15)25-19(17)21-18(23)14-10-6-5-7-11-14/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,21,23)
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n/an/a 3.30E+4n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24177
PNG
(3-N,3-N,6-triethyl-2-N-(thiophene-2-)-4,5,6,7-tetr...)
Show SMILES CCC1CCc2c(C1)sc(NC(=O)c1cccs1)c2C(=O)N(CC)CC
Show InChI InChI=1S/C20H26N2O2S2/c1-4-13-9-10-14-16(12-13)26-19(17(14)20(24)22(5-2)6-3)21-18(23)15-8-7-11-25-15/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,21,23)
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n/an/a 6.90E+4n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24155
PNG
(N-[3-(diethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzo...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cncs2)sc2CCCCc12
Show InChI InChI=1S/C17H21N3O2S2/c1-3-20(4-2)17(22)14-11-7-5-6-8-12(11)24-16(14)19-15(21)13-9-18-10-23-13/h9-10H,3-8H2,1-2H3,(H,19,21)
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n/an/a 7.60E+4n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24181
PNG
(3-N,3-N-diethyl-2-N-(thiophene-2-)-1-benzothiophen...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2ccccc12
Show InChI InChI=1S/C18H18N2O2S2/c1-3-20(4-2)18(22)15-12-8-5-6-9-13(12)24-17(15)19-16(21)14-10-7-11-23-14/h5-11H,3-4H2,1-2H3,(H,19,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24162
PNG
(2-N-(thiophene-2-)-4,5,6,7-tetrahydro-1-benzothiop...)
Show SMILES NC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
Show InChI InChI=1S/C14H14N2O2S2/c15-12(17)11-8-4-1-2-5-9(8)20-14(11)16-13(18)10-6-3-7-19-10/h3,6-7H,1-2,4-5H2,(H2,15,17)(H,16,18)
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n/an/a>1.00E+5n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24160
PNG
(ethyl 2-(thiophene-2-amido)-4,5,6,7-tetrahydro-1-b...)
Show SMILES CCOC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
Show InChI InChI=1S/C16H17NO3S2/c1-2-20-16(19)13-10-6-3-4-7-11(10)22-15(13)17-14(18)12-8-5-9-21-12/h5,8-9H,2-4,6-7H2,1H3,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24161
PNG
(2-(thiophene-2-amido)-4,5,6,7-tetrahydro-1-benzoth...)
Show SMILES OC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
Show InChI InChI=1S/C14H13NO3S2/c16-12(10-6-3-7-19-10)15-13-11(14(17)18)8-4-1-2-5-9(8)20-13/h3,6-7H,1-2,4-5H2,(H,15,16)(H,17,18)
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n/an/a>1.00E+5n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24180
PNG
(3-N,3-N-diethyl-2-N-(thiophene-2-)-4H,5H,6H,7H-thi...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CNCCc12
Show InChI InChI=1S/C17H21N3O2S2/c1-3-20(4-2)17(22)14-11-7-8-18-10-13(11)24-16(14)19-15(21)12-6-5-9-23-12/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H,19,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM24149
PNG
(3-N,3-N-diethyl-2-N-(thiophene-2-)thiophene-2,3-di...)
Show SMILES CCN(CC)C(=O)c1ccsc1NC(=O)c1cccs1
Show InChI InChI=1S/C14H16N2O2S2/c1-3-16(4-2)14(18)10-7-9-20-13(10)15-12(17)11-6-5-8-19-11/h5-9H,3-4H2,1-2H3,(H,15,17)
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n/an/a>1.00E+5n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...

Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%