Found 3 hits of 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
(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)) | 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)) | 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) |
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