Found 9 hits Enz. Inhib. hit(s) with Target = 'Kinesin-like protein KIF11' and Ligand = 'BDBM23823' 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
(Homo sapiens (Human)) | BDBM23823
((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...)Show SMILES COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1 | PDB MMDB
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| 9.10 | 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
(Homo sapiens (Human)) | BDBM23823
((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...)Show SMILES COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1 | PDB MMDB
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| 16 | 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
(Homo sapiens (Human)) | BDBM23823
((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...)Show SMILES COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1 | PDB MMDB
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| 22 | 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
(Homo sapiens (Human)) | BDBM23823
((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...)Show SMILES COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1 | PDB MMDB
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| 200 | -38.2 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
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
(Homo sapiens (Human)) | BDBM23823
((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...)Show SMILES COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1 | PDB MMDB
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CHEMBL KEGG PC cid PC sid PDB UniChem
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| n/a | n/a | 28.5 | 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
(Homo sapiens (Human)) | BDBM23823
((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...)Show SMILES COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
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CHEMBL KEGG PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| n/a | n/a | 150 | 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
(Homo sapiens (Human)) | BDBM23823
((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...)Show SMILES COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL KEGG PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 166 | 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
(Homo sapiens (Human)) | BDBM23823
((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...)Show SMILES COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL KEGG PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 270 | 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
(Homo sapiens (Human)) | BDBM23823
((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...)Show SMILES COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL KEGG PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 230 | 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) |