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14 molecules are shown

Wt: 264.3
BDBM50216513
Wt: 292.3
BDBM50216502
Purchase
Wt: 274.3
BDBM50216503
Wt: 291.3
BDBM50216509
Wt: 598.6
BDBM50216505
Wt: 420.4
BDBM50216506
Wt: 314.3
BDBM50216507
Wt: 440.5
BDBM50216508
Wt: 352.4
BDBM50216511
Wt: 394.4
BDBM50216512
Wt: 302.3
BDBM50216514
Wt: 338.4
BDBM50260279
Wt: 302.3
BDBM50323769
Wt: 292.3
BDBM50323770

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50216513,50216502,50216503,50216509,50216505,50216506,50216507,50216508,50216511,50216512,50216514,50260279,50323769,50323770   
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-like protein KIFC1


(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>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
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 1.40E+4n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Eur J Med Chem 60: 120-7 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.044
BindingDB Entry DOI: 10.7270/Q24M95VR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50260279
PNG
((R)-(4-(3-hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2...)
Show SMILES CN1C(=S)N[C@@H](C(C(=O)c2ccccc2)=C1C)c1cccc(O)c1
Show InChI InChI=1S/C19H18N2O2S/c1-12-16(18(23)13-7-4-3-5-8-13)17(20-19(24)21(12)2)14-9-6-10-15(22)11-14/h3-11,17,22H,1-2H3,(H,20,24)/t17-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



CNRS-Commissariat à l'Energie Atomique-Université Joseph Fourier

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated human Eg5 ATPase activity


J Biol Chem 282: 9740-7 (2007)


Article DOI: 10.1074/jbc.M608883200
BindingDB Entry DOI: 10.7270/Q2K64HVW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 6.10E+3n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216503
PNG
(4-(3-hydroxyphenyl)-2-thioxo-1,2,3,4,7,8-hexahydro...)
Show SMILES Oc1cccc(c1)C1NC(=S)N=C2CCCC(=O)C12
Show InChI InChI=1S/C14H14N2O2S/c17-9-4-1-3-8(7-9)13-12-10(15-14(19)16-13)5-2-6-11(12)18/h1,3-4,7,12-13,17H,2,5-6H2,(H,16,19)
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n/an/a 2.00E+3n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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 6.10E+3n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of Eg5 ATPase activity expressed in HeLa cells after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216505
PNG
(1,5-di-[4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2...)
Show SMILES CC1=NC(=S)NC(C1C(=O)OCCOCCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1)c1cccc(O)c1
Show InChI InChI=1S/C28H30N4O7S2/c1-15-21(23(31-27(40)29-15)17-5-3-7-19(33)13-17)25(35)38-11-9-37-10-12-39-26(36)22-16(2)30-28(41)32-24(22)18-6-4-8-20(34)14-18/h3-8,13-14,21-24,33-34H,9-12H2,1-2H3,(H,31,40)(H,32,41)
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n/an/a 2.40E+4n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216506
PNG
(1-azido-5-[4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-...)
Show SMILES CC1=NC(=S)NC(C1C(=O)NCCOCCOCCN=[N+]=[N-])c1cccc(O)c1
Show InChI InChI=1S/C18H24N6O4S/c1-12-15(16(23-18(29)22-12)13-3-2-4-14(25)11-13)17(26)20-5-7-27-9-10-28-8-6-21-24-19/h2-4,11,15-16,25H,5-10H2,1H3,(H,20,26)(H,23,29)
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n/an/a 6.91E+4n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216507
PNG
(5-furanoyl-4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-...)
Show SMILES CC1=NC(=S)NC(C1C(=O)c1ccco1)c1cccc(O)c1
Show InChI InChI=1S/C16H14N2O3S/c1-9-13(15(20)12-6-3-7-21-12)14(18-16(22)17-9)10-4-2-5-11(19)8-10/h2-8,13-14,19H,1H3,(H,18,22)
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n/an/a 3.00E+3n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216508
PNG
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)
Show SMILES CC1=NC(=S)NC(C1C(=O)OCCOCCOCCOCCO)c1cccc(O)c1
Show InChI InChI=1S/C20H28N2O7S/c1-14-17(18(22-20(30)21-14)15-3-2-4-16(24)13-15)19(25)29-12-11-28-10-9-27-8-7-26-6-5-23/h2-4,13,17-18,23-24H,5-12H2,1H3,(H,22,30)
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n/an/a 6.25E+4n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216506
PNG
(1-azido-5-[4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-...)
Show SMILES CC1=NC(=S)NC(C1C(=O)NCCOCCOCCN=[N+]=[N-])c1cccc(O)c1
Show InChI InChI=1S/C18H24N6O4S/c1-12-15(16(23-18(29)22-12)13-3-2-4-14(25)11-13)17(26)20-5-7-27-9-10-28-8-6-21-24-19/h2-4,11,15-16,25H,5-10H2,1H3,(H,20,26)(H,23,29)
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n/an/a 3.90E+4n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216512
PNG
(1-amino-5-[4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-...)
Show SMILES CC1=NC(=S)NC(C1C(=O)NCCOCCOCCN)c1cccc(O)c1
Show InChI InChI=1S/C18H26N4O4S/c1-12-15(17(24)20-6-8-26-10-9-25-7-5-19)16(22-18(27)21-12)13-3-2-4-14(23)11-13/h2-4,11,15-16,23H,5-10,19H2,1H3,(H,20,24)(H,22,27)
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n/an/a 2.20E+4n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216511
PNG
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)
Show SMILES CC1=NC(=S)NC(C1C(=O)OCCOCCO)c1cccc(O)c1
Show InChI InChI=1S/C16H20N2O5S/c1-10-13(15(21)23-8-7-22-6-5-19)14(18-16(24)17-10)11-3-2-4-12(20)9-11/h2-4,9,13-14,19-20H,5-8H2,1H3,(H,18,24)
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n/an/a 9.50E+3n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216509
PNG
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)
Show SMILES CCNC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1
Show InChI InChI=1S/C14H17N3O2S/c1-3-15-13(19)11-8(2)16-14(20)17-12(11)9-5-4-6-10(18)7-9/h4-7,11-12,18H,3H2,1-2H3,(H,15,19)(H,17,20)
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n/an/a 2.30E+4n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216513
PNG
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)
Show SMILES CC1=NC(=S)NC(C1C(O)=O)c1cccc(O)c1
Show InChI InChI=1S/C12H12N2O3S/c1-6-9(11(16)17)10(14-12(18)13-6)7-3-2-4-8(15)5-7/h2-5,9-10,15H,1H3,(H,14,18)(H,16,17)
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n/an/a 3.20E+4n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216512
PNG
(1-amino-5-[4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-...)
Show SMILES CC1=NC(=S)NC(C1C(=O)NCCOCCOCCN)c1cccc(O)c1
Show InChI InChI=1S/C18H26N4O4S/c1-12-15(17(24)20-6-8-26-10-9-25-7-5-19)16(22-18(27)21-12)13-3-2-4-14(23)11-13/h2-4,11,15-16,23H,5-10,19H2,1H3,(H,20,24)(H,22,27)
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n/an/a 3.90E+3n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of Eg5 ATPase activity expressed in HeLa cells after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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 1.23E+4n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216505
PNG
(1,5-di-[4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2...)
Show SMILES CC1=NC(=S)NC(C1C(=O)OCCOCCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1)c1cccc(O)c1
Show InChI InChI=1S/C28H30N4O7S2/c1-15-21(23(31-27(40)29-15)17-5-3-7-19(33)13-17)25(35)38-11-9-37-10-12-39-26(36)22-16(2)30-28(41)32-24(22)18-6-4-8-20(34)14-18/h3-8,13-14,21-24,33-34H,9-12H2,1-2H3,(H,31,40)(H,32,41)
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n/an/a 1.00E+4n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216511
PNG
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)
Show SMILES CC1=NC(=S)NC(C1C(=O)OCCOCCO)c1cccc(O)c1
Show InChI InChI=1S/C16H20N2O5S/c1-10-13(15(21)23-8-7-22-6-5-19)14(18-16(24)17-10)11-3-2-4-12(20)9-11/h2-4,9,13-14,19-20H,5-8H2,1H3,(H,18,24)
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n/an/a 2.10E+4n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216513
PNG
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)
Show SMILES CC1=NC(=S)NC(C1C(O)=O)c1cccc(O)c1
Show InChI InChI=1S/C12H12N2O3S/c1-6-9(11(16)17)10(14-12(18)13-6)7-3-2-4-8(15)5-7/h2-5,9-10,15H,1H3,(H,14,18)(H,16,17)
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n/an/a 7.22E+4n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216514
PNG
(4-(3-hydroxyphenyl)-7,7-dimethyl-2-thioxo-1,2,3,4,...)
Show SMILES CC1(C)CC(=O)C2C(NC(=S)N=C2C1)c1cccc(O)c1
Show InChI InChI=1S/C16H18N2O2S/c1-16(2)7-11-13(12(20)8-16)14(18-15(21)17-11)9-4-3-5-10(19)6-9/h3-6,13-14,19H,7-8H2,1-2H3,(H,18,21)
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n/an/a 200n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216507
PNG
(5-furanoyl-4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-...)
Show SMILES CC1=NC(=S)NC(C1C(=O)c1ccco1)c1cccc(O)c1
Show InChI InChI=1S/C16H14N2O3S/c1-9-13(15(20)12-6-3-7-21-12)14(18-16(22)17-9)10-4-2-5-11(19)8-10/h2-8,13-14,19H,1H3,(H,18,22)
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n/an/a 1.50E+3n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216512
PNG
(1-amino-5-[4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-...)
Show SMILES CC1=NC(=S)NC(C1C(=O)NCCOCCOCCN)c1cccc(O)c1
Show InChI InChI=1S/C18H26N4O4S/c1-12-15(17(24)20-6-8-26-10-9-25-7-5-19)16(22-18(27)21-12)13-3-2-4-14(23)11-13/h2-4,11,15-16,23H,5-10,19H2,1H3,(H,20,24)(H,22,27)
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n/an/a 1.83E+4n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216509
PNG
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)
Show SMILES CCNC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1
Show InChI InChI=1S/C14H17N3O2S/c1-3-15-13(19)11-8(2)16-14(20)17-12(11)9-5-4-6-10(18)7-9/h4-7,11-12,18H,3H2,1-2H3,(H,15,19)(H,17,20)
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n/an/a 8.23E+4n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50216508
PNG
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)
Show SMILES CC1=NC(=S)NC(C1C(=O)OCCOCCOCCOCCO)c1cccc(O)c1
Show InChI InChI=1S/C20H28N2O7S/c1-14-17(18(22-20(30)21-14)15-3-2-4-16(24)13-15)19(25)29-12-11-28-10-9-27-8-7-26-6-5-23/h2-4,13,17-18,23-24H,5-12H2,1H3,(H,22,30)
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n/an/a 2.30E+4n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50323769
PNG
((4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3...)
Show SMILES CC1(C)CC(=O)C2[C@@H](NC(=S)N=C2C1)c1cccc(O)c1
Show InChI InChI=1S/C16H18N2O2S/c1-16(2)7-11-13(12(20)8-16)14(18-15(21)17-11)9-4-3-5-10(19)6-9/h3-6,13-14,19H,7-8H2,1-2H3,(H,18,21)/t13?,14-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human kinesin Eg5


J Med Chem 53: 5676-83 (2010)


Article DOI: 10.1021/jm100421n
BindingDB Entry DOI: 10.7270/Q2T72HNZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50323770
PNG
((S)-monastrol | CHEMBL1213887)
Show SMILES CCOC(=O)C1[C@H](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)/t11?,12-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human kinesin Eg5


J Med Chem 53: 5676-83 (2010)


Article DOI: 10.1021/jm100421n
BindingDB Entry DOI: 10.7270/Q2T72HNZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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)
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
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 7.45E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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 1.40E+4n/an/an/an/an/an/a



Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of HsEg5


Eur J Med Chem 46: 3274-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.048
BindingDB Entry DOI: 10.7270/Q2T1541D
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50260279
PNG
((R)-(4-(3-hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2...)
Show SMILES CN1C(=S)N[C@@H](C(C(=O)c2ccccc2)=C1C)c1cccc(O)c1
Show InChI InChI=1S/C19H18N2O2S/c1-12-16(18(23)13-7-4-3-5-8-13)17(20-19(24)21(12)2)14-9-6-10-15(22)11-14/h3-11,17,22H,1-2H3,(H,20,24)/t17-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of Eg5 assessed as inhibition of microtubule-induced ATPase activity (unknown origin)


Eur J Med Chem 62: 614-31 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.031
BindingDB Entry DOI: 10.7270/Q2KH0PP9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM50260279
PNG
((R)-(4-(3-hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2...)
Show SMILES CN1C(=S)N[C@@H](C(C(=O)c2ccccc2)=C1C)c1cccc(O)c1
Show InChI InChI=1S/C19H18N2O2S/c1-12-16(18(23)13-7-4-3-5-8-13)17(20-19(24)21(12)2)14-9-6-10-15(22)11-14/h3-11,17,22H,1-2H3,(H,20,24)/t17-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of Eg5 basal ATPase activity (unknown origin)


Eur J Med Chem 62: 614-31 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.031
BindingDB Entry DOI: 10.7270/Q2KH0PP9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM50323769
PNG
((4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3...)
Show SMILES CC1(C)CC(=O)C2[C@@H](NC(=S)N=C2C1)c1cccc(O)c1
Show InChI InChI=1S/C16H18N2O2S/c1-16(2)7-11-13(12(20)8-16)14(18-15(21)17-11)9-4-3-5-10(19)6-9/h3-6,13-14,19H,7-8H2,1-2H3,(H,18,21)/t13?,14-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Eur J Med Chem 62: 614-31 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.031
BindingDB Entry DOI: 10.7270/Q2KH0PP9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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 3.00E+4n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Eur J Med Chem 62: 614-31 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.031
BindingDB Entry DOI: 10.7270/Q2KH0PP9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50260279
PNG
((R)-(4-(3-hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2...)
Show SMILES CN1C(=S)N[C@@H](C(C(=O)c2ccccc2)=C1C)c1cccc(O)c1
Show InChI InChI=1S/C19H18N2O2S/c1-12-16(18(23)13-7-4-3-5-8-13)17(20-19(24)21(12)2)14-9-6-10-15(22)11-14/h3-11,17,22H,1-2H3,(H,20,24)/t17-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



CNRS-Commissariat à l'Energie Atomique-Université Joseph Fourier

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of human Eg5


J Biol Chem 282: 9740-7 (2007)


Article DOI: 10.1074/jbc.M608883200
BindingDB Entry DOI: 10.7270/Q2K64HVW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)