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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 363.4
BDBM23772
Purchase
Wt: 462.3
BDBM115164
Wt: 549.2
BDBM115167
Wt: 563.2
BDBM115175
Wt: 565.2
BDBM115177
Wt: 292.3
BDBM115179

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 23 hits in this display   
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)
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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50 -41.3n/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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71.9n/an/an/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged human Eg5 basal ATPase activity


J Med Chem 54: 1576-86 (2011)


Article DOI: 10.1021/jm100991m
BindingDB Entry DOI: 10.7270/Q2154HC9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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107n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain basal ATPase activity expressed in Escherichia coli BL21 (...


J Med Chem 56: 1878-93 (2013)


Article DOI: 10.1021/jm3014597
BindingDB Entry DOI: 10.7270/Q20866NN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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129n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of MT-stimulated human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain ATPase activity expressed in Escherichia col...


J Med Chem 56: 1878-93 (2013)


Article DOI: 10.1021/jm3014597
BindingDB Entry DOI: 10.7270/Q20866NN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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136n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction...


J Med Chem 55: 1511-25 (2012)


Article DOI: 10.1021/jm201195m
BindingDB Entry DOI: 10.7270/Q2CZ386T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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144n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction...


J Med Chem 55: 1511-25 (2012)


Article DOI: 10.1021/jm201195m
BindingDB Entry DOI: 10.7270/Q2CZ386T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human Eg5 catalytic domain assessed as inhibition of microtubulin-induced ATPase activity after 25 mins by spectrophotometric analysis


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)
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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n/an/a 186n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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n/an/a 285n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged human Eg5 microtubule-stimulated ATPase activity


J Med Chem 54: 1576-86 (2011)


Article DOI: 10.1021/jm100991m
BindingDB Entry DOI: 10.7270/Q2154HC9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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n/an/a 352n/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated ATPase activity of N-terminal His-6-tagged human wild type Eg5 (1 to 368) expressed in Escherichia coli BL21 by ...


J Med Chem 56: 6317-29 (2013)


Article DOI: 10.1021/jm4006274
BindingDB Entry DOI: 10.7270/Q2M32X5D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



New Mexico State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microtubule-activated KSP motor domain ATPase activity after 10 mins by end-point assay


Bioorg Med Chem 19: 5446-53 (2011)


Article DOI: 10.1016/j.bmc.2011.07.054
BindingDB Entry DOI: 10.7270/Q2KP82HC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human Eg5 catalytic domain basal ATPase activity after 25 mins by spectrophotometric analysis


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-5 motor protein (KSP)


(Homo sapiens (Human))
BDBM115177
PNG
((−)-Ethyl 2-[2-(2-benzoyl-5,6-dibromo-1H-ben...)
Show SMILES CCCC(C(=O)NCC(=O)OCC)n1c(nc2cc(Br)c(Br)cc12)C(=O)c1ccccc1
Show InChI InChI=1S/C23H23Br2N3O4/c1-3-8-18(23(31)26-13-20(29)32-4-2)28-19-12-16(25)15(24)11-17(19)27-22(28)21(30)14-9-6-5-7-10-14/h5-7,9-12,18H,3-4,8,13H2,1-2H3,(H,26,31)
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n/an/a 1.37E+3n/an/an/an/an/an/a



University of Santiago de Compostela, Jenaro de la Fuente s/n, Campus Vida, Santiago de Compostela 15782 (Spain)



Assay Description
The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer's instructions. Reactions were ...


Chembiochem 15: 1471-80 (2014)


Article DOI: 10.1002/cbic.201402089
BindingDB Entry DOI: 10.7270/Q29W0D5K
More data for this
Ligand-Target Pair
Kinesin-5 motor protein (KSP)


(Homo sapiens (Human))
BDBM115175
PNG
((−)-Ethyl 2-[2-(2-benzoyl-5,6-dibromo-1H-ben...)
Show SMILES CCOC(=O)CNC(=O)C(C1CC1)n1c(nc2cc(Br)c(Br)cc12)C(=O)c1ccccc1
Show InChI InChI=1S/C23H21Br2N3O4/c1-2-32-19(29)12-26-23(31)20(13-8-9-13)28-18-11-16(25)15(24)10-17(18)27-22(28)21(30)14-6-4-3-5-7-14/h3-7,10-11,13,20H,2,8-9,12H2,1H3,(H,26,31)
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n/an/a 1.49E+3n/an/an/an/an/an/a



University of Santiago de Compostela, Jenaro de la Fuente s/n, Campus Vida, Santiago de Compostela 15782 (Spain)



Assay Description
The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer's instructions. Reactions were ...


Chembiochem 15: 1471-80 (2014)


Article DOI: 10.1002/cbic.201402089
BindingDB Entry DOI: 10.7270/Q29W0D5K
More data for this
Ligand-Target Pair
Kinesin-5 motor protein (KSP)


(Homo sapiens (Human))
BDBM115164
PNG
(Ethyl 2-[2-(2-benzyl-5,6-dichloro-1H-benzo[d]imida...)
Show SMILES CCCC(C(=O)NCC(=O)OCC)n1c(Cc2ccccc2)nc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C23H25Cl2N3O3/c1-3-8-19(23(30)26-14-22(29)31-4-2)28-20-13-17(25)16(24)12-18(20)27-21(28)11-15-9-6-5-7-10-15/h5-7,9-10,12-13,19H,3-4,8,11,14H2,1-2H3,(H,26,30)
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Santiago de Compostela, Jenaro de la Fuente s/n, Campus Vida, Santiago de Compostela 15782 (Spain)



Assay Description
The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer's instructions. Reactions were ...


Chembiochem 15: 1471-80 (2014)


Article DOI: 10.1002/cbic.201402089
BindingDB Entry DOI: 10.7270/Q29W0D5K
More data for this
Ligand-Target Pair
Kinesin-5 motor protein (KSP)


(Homo sapiens (Human))
BDBM115177
PNG
((−)-Ethyl 2-[2-(2-benzoyl-5,6-dibromo-1H-ben...)
Show SMILES CCCC(C(=O)NCC(=O)OCC)n1c(nc2cc(Br)c(Br)cc12)C(=O)c1ccccc1
Show InChI InChI=1S/C23H23Br2N3O4/c1-3-8-18(23(31)26-13-20(29)32-4-2)28-19-12-16(25)15(24)11-17(19)27-22(28)21(30)14-9-6-5-7-10-14/h5-7,9-12,18H,3-4,8,13H2,1-2H3,(H,26,31)
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n/an/a 1.72E+3n/an/an/an/an/an/a



University of Santiago de Compostela, Jenaro de la Fuente s/n, Campus Vida, Santiago de Compostela 15782 (Spain)



Assay Description
The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer's instructions. Reactions were ...


Chembiochem 15: 1471-80 (2014)


Article DOI: 10.1002/cbic.201402089
BindingDB Entry DOI: 10.7270/Q29W0D5K
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Eg5 assessed as inhibition ATP hydrolysis by ATPase assay


Bioorg Med Chem Lett 17: 3921-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.101
BindingDB Entry DOI: 10.7270/Q2542N8R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-5 motor protein (KSP)


(Homo sapiens (Human))
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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n/an/a 1.95E+3n/an/an/an/an/an/a



University of Santiago de Compostela, Jenaro de la Fuente s/n, Campus Vida, Santiago de Compostela 15782 (Spain)



Assay Description
The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer's instructions. Reactions were ...


Chembiochem 15: 1471-80 (2014)


Article DOI: 10.1002/cbic.201402089
BindingDB Entry DOI: 10.7270/Q29W0D5K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-5 motor protein (KSP)


(Homo sapiens (Human))
BDBM115167
PNG
(Ethyl 2-[2-(2-benzyl-5,6-dibromo-1H-benzo[d]imidaz...)
Show SMILES CCOC(=O)CNC(=O)C(C1CC1)n1c(Cc2ccccc2)nc2cc(Br)c(Br)cc12
Show InChI InChI=1S/C23H23Br2N3O3/c1-2-31-21(29)13-26-23(30)22(15-8-9-15)28-19-12-17(25)16(24)11-18(19)27-20(28)10-14-6-4-3-5-7-14/h3-7,11-12,15,22H,2,8-10,13H2,1H3,(H,26,30)
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n/an/a 2.29E+3n/an/an/an/an/an/a



University of Santiago de Compostela, Jenaro de la Fuente s/n, Campus Vida, Santiago de Compostela 15782 (Spain)



Assay Description
The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer's instructions. Reactions were ...


Chembiochem 15: 1471-80 (2014)


Article DOI: 10.1002/cbic.201402089
BindingDB Entry DOI: 10.7270/Q29W0D5K
More data for this
Ligand-Target Pair
Kinesin-5 motor protein (KSP)


(Homo sapiens (Human))
BDBM115175
PNG
((−)-Ethyl 2-[2-(2-benzoyl-5,6-dibromo-1H-ben...)
Show SMILES CCOC(=O)CNC(=O)C(C1CC1)n1c(nc2cc(Br)c(Br)cc12)C(=O)c1ccccc1
Show InChI InChI=1S/C23H21Br2N3O4/c1-2-32-19(29)12-26-23(31)20(13-8-9-13)28-18-11-16(25)15(24)10-17(18)27-22(28)21(30)14-6-4-3-5-7-14/h3-7,10-11,13,20H,2,8-9,12H2,1H3,(H,26,31)
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n/an/a 2.52E+3n/an/an/an/an/an/a



University of Santiago de Compostela, Jenaro de la Fuente s/n, Campus Vida, Santiago de Compostela 15782 (Spain)



Assay Description
The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer's instructions. Reactions were ...


Chembiochem 15: 1471-80 (2014)


Article DOI: 10.1002/cbic.201402089
BindingDB Entry DOI: 10.7270/Q29W0D5K
More data for this
Ligand-Target Pair
Kinesin-5 motor protein (KSP)


(Homo sapiens (Human))
BDBM115179
PNG
(Monastrol | ethyl 4-(3-hydroxyphenyl)-6-methyl-2-s...)
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 6.90E+3n/an/an/an/an/an/a



University of Santiago de Compostela, Jenaro de la Fuente s/n, Campus Vida, Santiago de Compostela 15782 (Spain)



Assay Description
The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer's instructions. Reactions were ...


Chembiochem 15: 1471-80 (2014)


Article DOI: 10.1002/cbic.201402089
BindingDB Entry DOI: 10.7270/Q29W0D5K
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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n/an/an/an/a 1.72E+3n/an/an/an/a



New Mexico State University

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HeLa cells assessed as bipolar spindle formation


Bioorg Med Chem 19: 5446-53 (2011)


Article DOI: 10.1016/j.bmc.2011.07.054
BindingDB Entry DOI: 10.7270/Q2KP82HC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)