Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50033787 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)) | BDBM50351257
(CHEMBL1818527)Show SMILES COc1ccc(cc1)C(SC[C@H](N)CO)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H25NO2S/c1-26-22-14-12-20(13-15-22)23(27-17-21(24)16-25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21,25H,16-17,24H2,1H3/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 127 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50351253
(CHEMBL1818528)Show SMILES COc1ccc(cc1)C(SC[C@@H](N)CO)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H25NO2S/c1-26-22-14-12-20(13-15-22)23(27-17-21(24)16-25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21,25H,16-17,24H2,1H3/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 130 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50351254
(CHEMBL1818529)Show InChI InChI=1S/C22H23NOS/c1-24-21-14-12-20(13-15-21)22(25-17-16-23,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16-17,23H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 136 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50351255
(CHEMBL1818525)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-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 230 | 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 | |
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 | 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)) | BDBM50351256
(CHEMBL1818526)Show SMILES N[C@H](CO)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C22H23NOS/c23-21(16-24)17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,24H,16-17,23H2/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 310 | 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 | |
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 | 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
(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 | 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) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50351254
(CHEMBL1818529)Show InChI InChI=1S/C22H23NOS/c1-24-21-14-12-20(13-15-21)22(25-17-16-23,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16-17,23H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 115 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50351256
(CHEMBL1818526)Show SMILES N[C@H](CO)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C22H23NOS/c23-21(16-24)17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,24H,16-17,23H2/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 294 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50351253
(CHEMBL1818528)Show SMILES COc1ccc(cc1)C(SC[C@@H](N)CO)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H25NO2S/c1-26-22-14-12-20(13-15-22)23(27-17-21(24)16-25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21,25H,16-17,24H2,1H3/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 160 | 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 | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50351257
(CHEMBL1818527)Show SMILES COc1ccc(cc1)C(SC[C@H](N)CO)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H25NO2S/c1-26-22-14-12-20(13-15-22)23(27-17-21(24)16-25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21,25H,16-17,24H2,1H3/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 190 | 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 | |
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 | 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) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50351255
(CHEMBL1818525)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-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 600 | 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 | |