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Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'thoret' and Initial = 's'   
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 KIF20A


(Homo sapiens (Human))
BDBM50140929
PNG
(CHEMBL3754608)
Show SMILES COc1ccc2[nH]cc(\C(=C\c3cccnc3)C#N)c2c1
Show InChI InChI=1S/C17H13N3O/c1-21-14-4-5-17-15(8-14)16(11-20-17)13(9-18)7-12-3-2-6-19-10-12/h2-8,10-11,20H,1H3/b13-7+
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n/an/a 230n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated N-terminal MKLP-2 (56 to 505 residues) ATPase activity isolated from human hepatocellular carcinoma cells by pyr...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140923
PNG
(CHEMBL3753955)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H11N3/c17-9-13(8-12-4-3-7-18-10-12)15-11-19-16-6-2-1-5-14(15)16/h1-8,10-11,19H/b13-8+
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n/an/a 830n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated N-terminal MKLP-2 (56 to 505 residues) ATPase activity isolated from human hepatocellular carcinoma cells by pyr...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140929
PNG
(CHEMBL3754608)
Show SMILES COc1ccc2[nH]cc(\C(=C\c3cccnc3)C#N)c2c1
Show InChI InChI=1S/C17H13N3O/c1-21-14-4-5-17-15(8-14)16(11-20-17)13(9-18)7-12-3-2-6-19-10-12/h2-8,10-11,20H,1H3/b13-7+
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n/an/a 1.20E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MKLP2 (56 to 505 residues) ATPase basal activity isolated from human hepatocellular carcinoma cells by pyruvate kinase/lacta...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140935
PNG
(CHEMBL3753380)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C23H17N3O/c24-13-19(11-18-7-4-10-25-14-18)22-15-26-23-9-8-20(12-21(22)23)27-16-17-5-2-1-3-6-17/h1-12,14-15,26H,16H2/b19-11+
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n/an/a 1.30E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated N-terminal MKLP-2 (56 to 505 residues) ATPase activity isolated from human hepatocellular carcinoma cells by pyr...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140923
PNG
(CHEMBL3753955)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H11N3/c17-9-13(8-12-4-3-7-18-10-12)15-11-19-16-6-2-1-5-14(15)16/h1-8,10-11,19H/b13-8+
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n/an/a 1.35E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MKLP2 (56 to 505 residues) ATPase basal activity isolated from human hepatocellular carcinoma cells by pyruvate kinase/lacta...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50216333
PNG
(CHEBI:67357 | DOLASTATIN-10 | Dolastatin 10 | Dolo...)
Show SMILES [H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1 |r|
Show InChI InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)/t28-,29+,31-,32-,33+,35-,36-,37-,38+/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Laboratoire des M£canismes Mol£culaires des Communications Cellulaires (CNRS UPR 9023)

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of tubulin polymerization.


Bioorg Med Chem Lett 8: 2855-8 (1999)


BindingDB Entry DOI: 10.7270/Q2H41RX7
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140931
PNG
(CHEMBL3753782)
Show SMILES COc1cccc2[nH]cc(\C(=C\c3cccnc3)C#N)c12
Show InChI InChI=1S/C17H13N3O/c1-21-16-6-2-5-15-17(16)14(11-20-15)13(9-18)8-12-4-3-7-19-10-12/h2-8,10-11,20H,1H3/b13-8+
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n/an/a 3.30E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated N-terminal MKLP-2 (56 to 505 residues) ATPase activity isolated from human hepatocellular carcinoma cells by pyr...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140927
PNG
(CHEMBL3752100)
Show SMILES COc1cc(OC)cc(\C=C(/C#N)c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C19H16N2O2/c1-22-15-8-13(9-16(10-15)23-2)7-14(11-20)18-12-21-19-6-4-3-5-17(18)19/h3-10,12,21H,1-2H3/b14-7+
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n/an/a 3.60E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MKLP2 (56 to 505 residues) ATPase basal activity isolated from human hepatocellular carcinoma cells by pyruvate kinase/lacta...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140931
PNG
(CHEMBL3753782)
Show SMILES COc1cccc2[nH]cc(\C(=C\c3cccnc3)C#N)c12
Show InChI InChI=1S/C17H13N3O/c1-21-16-6-2-5-15-17(16)14(11-20-15)13(9-18)8-12-4-3-7-19-10-12/h2-8,10-11,20H,1H3/b13-8+
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n/an/a 4.20E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MKLP2 (56 to 505 residues) ATPase basal activity isolated from human hepatocellular carcinoma cells by pyruvate kinase/lacta...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140928
PNG
(CHEMBL3752687)
Show SMILES N#C\C(=C/c1ccc2OCOc2c1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H12N2O2/c19-9-13(15-10-20-16-4-2-1-3-14(15)16)7-12-5-6-17-18(8-12)22-11-21-17/h1-8,10,20H,11H2/b13-7+
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n/an/a 5.10E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated N-terminal MKLP-2 (56 to 505 residues) ATPase activity isolated from human hepatocellular carcinoma cells by pyr...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140930
PNG
(CHEMBL3753970)
Show SMILES COc1ccc2c(c[nH]c2c1)C(=C\c1cccnc1)\C#N
Show InChI InChI=1S/C17H13N3O/c1-21-14-4-5-15-16(11-20-17(15)8-14)13(9-18)7-12-3-2-6-19-10-12/h2-8,10-11,20H,1H3/b13-7+
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n/an/a 5.40E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated N-terminal MKLP-2 (56 to 505 residues) ATPase activity isolated from human hepatocellular carcinoma cells by pyr...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140930
PNG
(CHEMBL3753970)
Show SMILES COc1ccc2c(c[nH]c2c1)C(=C\c1cccnc1)\C#N
Show InChI InChI=1S/C17H13N3O/c1-21-14-4-5-15-16(11-20-17(15)8-14)13(9-18)7-12-3-2-6-19-10-12/h2-8,10-11,20H,1H3/b13-7+
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n/an/a 5.60E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MKLP2 (56 to 505 residues) ATPase basal activity isolated from human hepatocellular carcinoma cells by pyruvate kinase/lacta...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140926
PNG
(CHEMBL3752869)
Show SMILES Clc1ccc(\C=C(/C#N)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C17H11ClN2/c18-14-7-5-12(6-8-14)9-13(10-19)16-11-20-17-4-2-1-3-15(16)17/h1-9,11,20H/b13-9+
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n/an/a 8.90E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated N-terminal MKLP-2 (56 to 505 residues) ATPase activity isolated from human hepatocellular carcinoma cells by pyr...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140927
PNG
(CHEMBL3752100)
Show SMILES COc1cc(OC)cc(\C=C(/C#N)c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C19H16N2O2/c1-22-15-8-13(9-16(10-15)23-2)7-14(11-20)18-12-21-19-6-4-3-5-17(18)19/h3-10,12,21H,1-2H3/b14-7+
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n/an/a 1.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated N-terminal MKLP-2 (56 to 505 residues) ATPase activity isolated from human hepatocellular carcinoma cells by pyr...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140926
PNG
(CHEMBL3752869)
Show SMILES Clc1ccc(\C=C(/C#N)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C17H11ClN2/c18-14-7-5-12(6-8-14)9-13(10-19)16-11-20-17-4-2-1-3-15(16)17/h1-9,11,20H/b13-9+
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n/an/a 1.01E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MKLP2 (56 to 505 residues) ATPase basal activity isolated from human hepatocellular carcinoma cells by pyruvate kinase/lacta...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140932
PNG
(CHEMBL3753668)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H10N4/c16-8-12(7-11-3-1-5-17-9-11)14-10-19-15-13(14)4-2-6-18-15/h1-7,9-10H,(H,18,19)/b12-7+
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n/an/a 1.02E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated N-terminal MKLP-2 (56 to 505 residues) ATPase activity isolated from human hepatocellular carcinoma cells by pyr...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140932
PNG
(CHEMBL3753668)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H10N4/c16-8-12(7-11-3-1-5-17-9-11)14-10-19-15-13(14)4-2-6-18-15/h1-7,9-10H,(H,18,19)/b12-7+
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n/an/a 1.10E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MKLP2 (56 to 505 residues) ATPase basal activity isolated from human hepatocellular carcinoma cells by pyruvate kinase/lacta...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140928
PNG
(CHEMBL3752687)
Show SMILES N#C\C(=C/c1ccc2OCOc2c1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H12N2O2/c19-9-13(15-10-20-16-4-2-1-3-14(15)16)7-12-5-6-17-18(8-12)22-11-21-17/h1-8,10,20H,11H2/b13-7+
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n/an/a 1.43E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MKLP2 (56 to 505 residues) ATPase basal activity isolated from human hepatocellular carcinoma cells by pyruvate kinase/lacta...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140936
PNG
(CHEMBL3752183)
Show SMILES COc1ccc2[nH]c(C)c(\C(=C\c3cccnc3)C#N)c2c1
Show InChI InChI=1S/C18H15N3O/c1-12-18(14(10-19)8-13-4-3-7-20-11-13)16-9-15(22-2)5-6-17(16)21-12/h3-9,11,21H,1-2H3/b14-8+
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n/an/a 1.52E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated N-terminal MKLP-2 (56 to 505 residues) ATPase activity isolated from human hepatocellular carcinoma cells by pyr...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140924
PNG
(CHEMBL3752271)
Show SMILES Clc1cccc(\C=C(/C#N)c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C17H11ClN2/c18-14-5-3-4-12(9-14)8-13(10-19)16-11-20-17-7-2-1-6-15(16)17/h1-9,11,20H/b13-8+
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n/an/a 1.85E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MKLP2 (56 to 505 residues) ATPase basal activity isolated from human hepatocellular carcinoma cells by pyruvate kinase/lacta...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140925
PNG
(CHEMBL3754386)
Show SMILES Fc1ccc(\C=C(/C#N)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C17H11FN2/c18-14-7-5-12(6-8-14)9-13(10-19)16-11-20-17-4-2-1-3-15(16)17/h1-9,11,20H/b13-9+
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n/an/a 2.90E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated N-terminal MKLP-2 (56 to 505 residues) ATPase activity isolated from human hepatocellular carcinoma cells by pyr...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140934
PNG
(CHEMBL3754004)
Show SMILES N#CC(Cc1cccnc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H13N3/c17-9-13(8-12-4-3-7-18-10-12)15-11-19-16-6-2-1-5-14(15)16/h1-7,10-11,13,19H,8H2
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n/an/a 2.98E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated N-terminal MKLP-2 (56 to 505 residues) ATPase activity isolated from human hepatocellular carcinoma cells by pyr...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140933
PNG
(CHEMBL3753648)
Show SMILES N#C\C(=C/c1c[nH]c2ccccc12)c1cccnc1
Show InChI InChI=1S/C16H11N3/c17-9-13(12-4-3-7-18-10-12)8-14-11-19-16-6-2-1-5-15(14)16/h1-8,10-11,19H/b13-8+
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n/an/a 3.31E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MKLP2 (56 to 505 residues) ATPase basal activity isolated from human hepatocellular carcinoma cells by pyruvate kinase/lacta...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140925
PNG
(CHEMBL3754386)
Show SMILES Fc1ccc(\C=C(/C#N)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C17H11FN2/c18-14-7-5-12(6-8-14)9-13(10-19)16-11-20-17-4-2-1-3-15(16)17/h1-9,11,20H/b13-9+
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n/an/a 3.40E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MKLP2 (56 to 505 residues) ATPase basal activity isolated from human hepatocellular carcinoma cells by pyruvate kinase/lacta...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140933
PNG
(CHEMBL3753648)
Show SMILES N#C\C(=C/c1c[nH]c2ccccc12)c1cccnc1
Show InChI InChI=1S/C16H11N3/c17-9-13(12-4-3-7-18-10-12)8-14-11-19-16-6-2-1-5-15(14)16/h1-8,10-11,19H/b13-8+
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n/an/a 3.45E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated N-terminal MKLP-2 (56 to 505 residues) ATPase activity isolated from human hepatocellular carcinoma cells by pyr...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50072182
PNG
((2S,5S,6R,7S,14R,15S,18S,21S,22R)-2-Benzyl-15-((S)...)
Show SMILES CC[C@H](C)[C@H]1[C@@H](CC(=O)N2CCC[C@H]2[C@H](OC)[C@H](C)C(=O)N[C@@H](Cc2ccccc2)c2nc(cs2)C(=O)O[C@H](C)[C@H](N(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1C)OC
Show InChI InChI=1S/C42H64N6O8S/c1-12-25(4)35-32(54-10)22-33(49)48-20-16-19-31(48)37(55-11)26(5)38(50)43-29(21-28-17-14-13-15-18-28)40-44-30(23-57-40)42(53)56-27(6)36(46(7)8)39(51)45-34(24(2)3)41(52)47(35)9/h13-15,17-18,23-27,29,31-32,34-37H,12,16,19-22H2,1-11H3,(H,43,50)(H,45,51)/t25-,26-,27+,29-,31-,32+,34-,35-,36-,37+/m0/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



Laboratoire des M£canismes Mol£culaires des Communications Cellulaires (CNRS UPR 9023)

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of tubulin polymerization


Bioorg Med Chem Lett 8: 2855-8 (1999)


BindingDB Entry DOI: 10.7270/Q2H41RX7
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140934
PNG
(CHEMBL3754004)
Show SMILES N#CC(Cc1cccnc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H13N3/c17-9-13(8-12-4-3-7-18-10-12)15-11-19-16-6-2-1-5-14(15)16/h1-7,10-11,13,19H,8H2
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n/an/a 5.90E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MKLP2 (56 to 505 residues) ATPase basal activity isolated from human hepatocellular carcinoma cells by pyruvate kinase/lacta...


Bioorg Med Chem 24: 721-34 (2016)


Article DOI: 10.1016/j.bmc.2015.12.042
BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair