Found 17 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Kinesin-like protein KIF11
(369/369 = 100%)† (Homo sapiens (Human)) | BDBM23772
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| MMDB PDB Article PubMed
| 50 | -41.3 | n/a | n/a | n/a | n/a | n/a | 6.9 | 22 |
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 Structure (crystal) |
Kinesin-like protein KIF11
(369/369 = 100%)† (Homo sapiens (Human)) | BDBM23772
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| MMDB PDB Article PubMed
| 71.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Kinesin-like protein KIF11
(369/369 = 100%)† (Homo sapiens (Human)) | BDBM23772
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| 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 | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Kinesin-like protein KIF11
(369/369 = 100%)† (Homo sapiens (Human)) | BDBM23772
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| 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 | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Kinesin-like protein KIF11
(369/369 = 100%)† (Homo sapiens (Human)) | BDBM23772
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| 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 | PDB MMDB
Reactome pathway KEGG
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| 136 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Kinesin-like protein KIF11
(369/369 = 100%)† (Homo sapiens (Human)) | BDBM23772
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| 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 | PDB MMDB
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| MMDB PDB Article PubMed
| 144 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Kinesin-like protein KIF11
(369/369 = 100%)† (Homo sapiens (Human)) | BDBM23772
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| 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 | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Kinesin-like protein KIF11
(369/369 = 100%)† (Homo sapiens (Human)) | BDBM23772
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| 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 | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Kinesin-like protein KIF11
(369/369 = 100%)† (Homo sapiens (Human)) | BDBM23772
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| 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 | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 285 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Kinesin-like protein KIF11
(369/369 = 100%)† (Homo sapiens (Human)) | BDBM23772
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| 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 | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 352 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Kinesin-like protein KIF11
(369/369 = 100%)† (Homo sapiens (Human)) | BDBM23772
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| 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 | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Kinesin-like protein KIF11
(369/369 = 100%)† (Homo sapiens (Human)) | BDBM23772
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| 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 | PDB MMDB
Reactome pathway KEGG
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Patents
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| MMDB PDB Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Alagappa University
Curated by ChEMBL
| Assay Description Inhibition of mitotic kinesin Eg5 (unknown origin) |
Eur J Med Chem 148: 106-115 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.010 BindingDB Entry DOI: 10.7270/Q25141R9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kinesin-like protein KIF11
(369/369 = 100%)† (Homo sapiens (Human)) | BDBM23772
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| 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 | PDB MMDB
Reactome pathway KEGG
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Patents
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| MMDB PDB Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Kinesin-like protein KIF11
(369/369 = 100%)† (Homo sapiens (Human)) | BDBM23772
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| 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 | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Kinesin-like protein KIF11
(369/369 = 100%)† (Homo sapiens (Human)) | BDBM23772
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| 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 | PDB MMDB
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Patents
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| MMDB PDB Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Kinesin-like protein KIF11 [1-973]
(369/369 = 100%)† (Homo sapiens (Human)) | BDBM23772
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| 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 | PDB MMDB
Reactome pathway
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| MMDB PDB Article PubMed
| n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Kinesin-like protein KIF11
(369/369 = 100%)† (Homo sapiens (Human)) | BDBM23772
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| 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 | PDB MMDB
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Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.72E+3 | n/a | n/a | n/a | n/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 Structure (crystal) |