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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kinesin-like protein KIF11' and Ligand = 'BDBM50216500'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50216500
PNG
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)
Show SMILES CC1=NC(=S)NC(C1C(=O)OCCOCCS)c1cccc(O)c1 |w:6.17,t:1|
Show InChI InChI=1S/C16H20N2O4S2/c1-10-13(15(20)22-6-5-21-7-8-23)14(18-16(24)17-10)11-3-2-4-12(19)9-11/h2-4,9,13-14,19,23H,5-8H2,1H3,(H,18,24)
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PC cid
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Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50216500
PNG
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)
Show SMILES CC1=NC(=S)NC(C1C(=O)OCCOCCS)c1cccc(O)c1 |w:6.17,t:1|
Show InChI InChI=1S/C16H20N2O4S2/c1-10-13(15(20)22-6-5-21-7-8-23)14(18-16(24)17-10)11-3-2-4-12(19)9-11/h2-4,9,13-14,19,23H,5-8H2,1H3,(H,18,24)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



CNRS-Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated Eg5 ATPase activity expressed in Escherichia coli after 12 hrs


Bioorg Med Chem 15: 6474-88 (2007)


Article DOI: 10.1016/j.bmc.2007.06.016
BindingDB Entry DOI: 10.7270/Q2X63MPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)