Found 48 hits with Last Name = 'ulaganathan' and Initial = 'v' 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)) | 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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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
(Homo sapiens (Human)) | BDBM50339680
(CHEMBL1688930 | S-(2-Methyl-1,1-diphenylbutyl)-L-c...)Show SMILES CCC(C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C20H25NO2S/c1-3-15(2)20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-14-18(21)19(22)23/h4-13,15,18H,3,14,21H2,1-2H3,(H,22,23)/t15?,18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 76.2 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339673
(CHEMBL1688927 | S-(1,1-Diphenyl[4-(butyl)phenyl]me...)Show SMILES CCCCc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H29NO2S/c1-2-3-10-20-15-17-23(18-16-20)26(21-11-6-4-7-12-21,22-13-8-5-9-14-22)30-19-24(27)25(28)29/h4-9,11-18,24H,2-3,10,19,27H2,1H3,(H,28,29)/t24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 84.2 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50198302
((S)-2-amino-3-(tritylthio)propanoic acid | CHEMBL3...)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-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 98.6 | 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 (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM23802
(2-[(triphenylmethyl)sulfanyl]ethan-1-amine | Triph...)Show InChI InChI=1S/C21H21NS/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,22H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 156 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM23777
((2R)-2-amino-3-[(2-methyl-1,1-diphenylpropyl)sulfa...)Show SMILES CC(C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C19H23NO2S/c1-14(2)19(15-9-5-3-6-10-15,16-11-7-4-8-12-16)23-13-17(20)18(21)22/h3-12,14,17H,13,20H2,1-2H3,(H,21,22)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 175 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339681
(CHEMBL1688931 | S-(2-Ethyl-1,1-diphenylbutyl)-L-cy...)Show SMILES CCC(CC)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C21H27NO2S/c1-3-16(4-2)21(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-15-19(22)20(23)24/h5-14,16,19H,3-4,15,22H2,1-2H3,(H,23,24)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 302 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339672
(CHEMBL1688926 | S-(1,1-Diphenyl[4-(tert-butyl)phen...)Show SMILES CC(C)(C)c1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H29NO2S/c1-25(2,3)19-14-16-22(17-15-19)26(20-10-6-4-7-11-20,21-12-8-5-9-13-21)30-18-23(27)24(28)29/h4-17,23H,18,27H2,1-3H3,(H,28,29)/t23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 429 | 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 (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339671
(CHEMBL1688925 | S-(1,1-Diphenyl[4-biphenyl]methyl)...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C28H25NO2S/c29-26(27(30)31)20-32-28(23-12-6-2-7-13-23,24-14-8-3-9-15-24)25-18-16-22(17-19-25)21-10-4-1-5-11-21/h1-19,26H,20,29H2,(H,30,31)/t26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 1.35E+3 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339679
(4-((2-amino-2-carboxyethylthio)diphenylmethyl)benz...)Show SMILES NC(CSC(c1ccccc1)(c1ccccc1)c1ccc(cc1)C(O)=O)C(O)=O Show InChI InChI=1S/C23H21NO4S/c24-20(22(27)28)15-29-23(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-13-11-16(12-14-19)21(25)26/h1-14,20H,15,24H2,(H,25,26)(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.54E+3 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339670
(CHEMBL1688924 | S-(1,1-Diphenyl[4-(cyclohexyl)phen...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(cc1)C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C28H31NO2S/c29-26(27(30)31)20-32-28(23-12-6-2-7-13-23,24-14-8-3-9-15-24)25-18-16-22(17-19-25)21-10-4-1-5-11-21/h2-3,6-9,12-19,21,26H,1,4-5,10-11,20,29H2,(H,30,31)/t26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 3.26E+3 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339682
((R)-2-amino-3-(diphenyl(thiophen-2-yl)methylthio)p...)Show SMILES N[C@@H](CSC(c1cccs1)(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C20H19NO2S2/c21-17(19(22)23)14-25-20(18-12-7-13-24-18,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17H,14,21H2,(H,22,23)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| 5.83E+4 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM23780
((2R)-2-amino-3-[(naphthalen-2-yldiphenylmethyl)sul...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(O)=O |r| Show InChI InChI=1S/C26H23NO2S/c27-24(25(28)29)18-30-26(21-11-3-1-4-12-21,22-13-5-2-6-14-22)23-16-15-19-9-7-8-10-20(19)17-23/h1-17,24H,18,27H2,(H,28,29)/t24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16.3 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339678
(CHEMBL1688928 | S-(1,1-Diphenyl[4-iodophenyl]methy...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(I)cc1)C(O)=O |r| Show InChI InChI=1S/C22H20INO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19.3 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339677
(CHEMBL1688920 | S-(1,1-Diphenyl[4-thiomethylphenyl...)Show SMILES CSc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H23NO2S2/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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 21.8 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM23821
((2R)-2-amino-3-{[(4-bromophenyl)diphenylmethyl]sul...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Br)cc1)C(O)=O |r| Show InChI InChI=1S/C22H20BrNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 26.8 | 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 | |
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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 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)) | BDBM23820
((2R)-2-amino-3-{[(4-chlorophenyl)diphenylmethyl]su...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C22H20ClNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 53.3 | 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)) | BDBM50339676
(CHEMBL1688921 | S-(1,1-Diphenyl[4-(ethyl)phenyl]me...)Show SMILES CCc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25NO2S/c1-2-18-13-15-21(16-14-18)24(19-9-5-3-6-10-19,20-11-7-4-8-12-20)28-17-22(25)23(26)27/h3-16,22H,2,17,25H2,1H3,(H,26,27)/t22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 55.4 | 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 (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM23822
((2R)-2-amino-3-{[(4-methylphenyl)diphenylmethyl]su...)Show SMILES Cc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H23NO2S/c1-17-12-14-20(15-13-17)23(18-8-4-2-5-9-18,19-10-6-3-7-11-19)27-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 61.7 | 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 (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339675
(CHEMBL1688922 | S-(1,1-Diphenyl[4-(propyl)phenyl]m...)Show SMILES CCCc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO2S/c1-2-9-19-14-16-22(17-15-19)25(20-10-5-3-6-11-20,21-12-7-4-8-13-21)29-18-23(26)24(27)28/h3-8,10-17,23H,2,9,18,26H2,1H3,(H,27,28)/t23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 85.9 | 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 (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339673
(CHEMBL1688927 | S-(1,1-Diphenyl[4-(butyl)phenyl]me...)Show SMILES CCCCc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H29NO2S/c1-2-3-10-20-15-17-23(18-16-20)26(21-11-6-4-7-12-21,22-13-8-5-9-14-22)30-19-24(27)25(28)29/h4-9,11-18,24H,2-3,10,19,27H2,1H3,(H,28,29)/t24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 93.3 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50213730
((R)-2-amino-3-(diphenyl(4-(trifluoromethyl)phenyl)...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C23H20F3NO2S/c24-23(25,26)19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)30-15-20(27)21(28)29/h1-14,20H,15,27H2,(H,28,29)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 116 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339674
(CHEMBL1688923 | S-(1,1-Diphenyl[4-(isopropyl)pheny...)Show SMILES CC(C)c1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO2S/c1-18(2)19-13-15-22(16-14-19)25(20-9-5-3-6-10-20,21-11-7-4-8-12-21)29-17-23(26)24(27)28/h3-16,18,23H,17,26H2,1-2H3,(H,27,28)/t23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 144 | 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 (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50323769
((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 |r,c:11| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Kinesin-like protein KIF11
(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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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
(Homo sapiens (Human)) | BDBM50198302
((S)-2-amino-3-(tritylthio)propanoic acid | CHEMBL3...)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-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 306 | 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 (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM23776
((2R)-2-amino-3-[(1,1-diphenylpentyl)sulfanyl]propa...)Show SMILES CCCCC(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C20H25NO2S/c1-2-3-14-20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-15-18(21)19(22)23/h4-13,18H,2-3,14-15,21H2,1H3,(H,22,23)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 319 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM23802
(2-[(triphenylmethyl)sulfanyl]ethan-1-amine | Triph...)Show InChI InChI=1S/C21H21NS/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,22H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 396 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339680
(CHEMBL1688930 | S-(2-Methyl-1,1-diphenylbutyl)-L-c...)Show SMILES CCC(C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C20H25NO2S/c1-3-15(2)20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-14-18(21)19(22)23/h4-13,15,18H,3,14,21H2,1-2H3,(H,22,23)/t15?,18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 549 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM23777
((2R)-2-amino-3-[(2-methyl-1,1-diphenylpropyl)sulfa...)Show SMILES CC(C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C19H23NO2S/c1-14(2)19(15-9-5-3-6-10-15,16-11-7-4-8-12-16)23-13-17(20)18(21)22/h3-12,14,17H,13,20H2,1-2H3,(H,21,22)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.15E+3 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339672
(CHEMBL1688926 | S-(1,1-Diphenyl[4-(tert-butyl)phen...)Show SMILES CC(C)(C)c1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H29NO2S/c1-25(2,3)19-14-16-22(17-15-19)26(20-10-6-4-7-11-20,21-12-8-5-9-13-21)30-18-23(27)24(28)29/h4-17,23H,18,27H2,1-3H3,(H,28,29)/t23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.24E+3 | 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 (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339670
(CHEMBL1688924 | S-(1,1-Diphenyl[4-(cyclohexyl)phen...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(cc1)C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C28H31NO2S/c29-26(27(30)31)20-32-28(23-12-6-2-7-13-23,24-14-8-3-9-15-24)25-18-16-22(17-19-25)21-10-4-1-5-11-21/h2-3,6-9,12-19,21,26H,1,4-5,10-11,20,29H2,(H,30,31)/t26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.58E+3 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339681
(CHEMBL1688931 | S-(2-Ethyl-1,1-diphenylbutyl)-L-cy...)Show SMILES CCC(CC)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C21H27NO2S/c1-3-16(4-2)21(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-15-19(22)20(23)24/h5-14,16,19H,3-4,15,22H2,1-2H3,(H,23,24)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.63E+3 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339671
(CHEMBL1688925 | S-(1,1-Diphenyl[4-biphenyl]methyl)...)Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C28H25NO2S/c29-26(27(30)31)20-32-28(23-12-6-2-7-13-23,24-14-8-3-9-15-24)25-18-16-22(17-19-25)21-10-4-1-5-11-21/h1-19,26H,20,29H2,(H,30,31)/t26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.97E+3 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50323768
((S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAH...)Show SMILES Oc1cccc(c1)[C@@H]1NC(=S)N=C2CCCC(=O)C12 |r,t:12| 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)/t12?,13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339679
(4-((2-amino-2-carboxyethylthio)diphenylmethyl)benz...)Show SMILES NC(CSC(c1ccccc1)(c1ccccc1)c1ccc(cc1)C(O)=O)C(O)=O Show InChI InChI=1S/C23H21NO4S/c24-20(22(27)28)15-29-23(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-13-11-16(12-14-19)21(25)26/h1-14,20H,15,24H2,(H,25,26)(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.41E+4 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50323770
((S)-monastrol | CHEMBL1213887)Show SMILES CCOC(=O)C1[C@H](NC(=S)N=C1C)c1cccc(O)c1 |r,c:10| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50339682
((R)-2-amino-3-(diphenyl(thiophen-2-yl)methylthio)p...)Show SMILES N[C@@H](CSC(c1cccs1)(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C20H19NO2S2/c21-17(19(22)23)14-25-20(18-12-7-13-24-18,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17H,14,21H2,(H,22,23)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.17E+4 | 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 | |
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
(Escherichia coli (strain K12)) | BDBM31907
(5-oxopentanoic acid, 4)Show InChI InChI=1S/C12H15NO5/c14-11(2-1-3-12(15)16)13-8-4-5-9-10(6-8)18-7-17-9/h4-6,9-10H,1-3,7H2,(H,13,14)(H,15,16) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | 10 |
University of Dundee
| Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr... |
J Med Chem 52: 2531-42 (2009)
Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB |
More data for this Ligand-Target Pair | |
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
(Escherichia coli (strain K12)) | BDBM31909
(Cytidine 2,3-cyclic phosphate, 6)Show SMILES Nc1ccn([C@H]2O[C@@H](CO)[C@H]3OP(O)(=O)O[C@@H]23)c(=O)n1 |r| Show InChI InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6+,7+,8-/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
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PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.05E+7 | n/a | n/a | n/a | 7.0 | 10 |
University of Dundee
| Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr... |
J Med Chem 52: 2531-42 (2009)
Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB |
More data for this Ligand-Target Pair | 3D Structure (docked) |
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
(Escherichia coli (strain K12)) | BDBM31910
(Cyclic CMP, 7)Show SMILES Nc1ccn([C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| KEGG MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 9.00E+5 | n/a | n/a | n/a | 7.0 | 10 |
University of Dundee
| Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr... |
J Med Chem 52: 2531-42 (2009)
Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
(Escherichia coli (strain K12)) | BDBM31911
(2-[(2,6-diaminopyrimidin-4-yl)sulfanyl]acetamide, ...)Show InChI InChI=1S/C6H9N5OS/c7-3-1-5(11-6(9)10-3)13-2-4(8)12/h1H,2H2,(H2,8,12)(H4,7,9,10,11) | PDB MMDB
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UniProtKB/SwissProt
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | 10 |
University of Dundee
| Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr... |
J Med Chem 52: 2531-42 (2009)
Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB |
More data for this Ligand-Target Pair | |
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
(Escherichia coli (strain K12)) | BDBM31912
(4-(5-amino-1,3,4-oxadiazol-2-yl)-1,2,5-oxadiazol-3...)Show InChI InChI=1S/C4H4N6O2/c5-2-1(9-12-10-2)3-7-8-4(6)11-3/h(H2,5,10)(H2,6,8) | PDB MMDB
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UniProtKB/SwissProt
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | 10 |
University of Dundee
| Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr... |
J Med Chem 52: 2531-42 (2009)
Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB |
More data for this Ligand-Target Pair | |
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
(Escherichia coli (strain K12)) | BDBM31913
(1-beta-D-arabinofuranosylcytosine 5-monophosphate ...)Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]2O)c(=O)n1 Show InChI InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
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MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 1.89E+7 | n/a | n/a | n/a | 7.0 | 10 |
University of Dundee
| Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr... |
J Med Chem 52: 2531-42 (2009)
Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
(Escherichia coli (strain K12)) | BDBM31914
(4-amino-1-[(2R,3R,4S,5R)-3, 4-dihydroxy-5-(hydroxy...)Show SMILES Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1 | PDB MMDB
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MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 2.02E+6 | n/a | n/a | n/a | 7.0 | 10 |
University of Dundee
| Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr... |
J Med Chem 52: 2531-42 (2009)
Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
(Escherichia coli (strain K12)) | BDBM31915
(CDV | Cidofovir | HPMPC | US10071110, Compound Cid...)Show InChI InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 4.00E+7 | n/a | n/a | n/a | 7.0 | 10 |
University of Dundee
| Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr... |
J Med Chem 52: 2531-42 (2009)
Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB |
More data for this Ligand-Target Pair | |
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
(Escherichia coli (strain K12)) | BDBM31916
(Tryptophanhydroxamate, 13)Show InChI InChI=1S/C11H13N3O2/c12-9(11(15)14-16)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13,16H,5,12H2,(H,14,15)/t9-/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 1.92E+3 | n/a | n/a | n/a | 7.0 | 10 |
University of Dundee
| Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr... |
J Med Chem 52: 2531-42 (2009)
Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB |
More data for this Ligand-Target Pair | |