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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 = 'BDBM23812'   
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))
BDBM23812
PNG
(CHEMBL232728 | S-Trityl-L-Cysteine (STLC) Analogue...)
Show SMILES COC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H23NO2S/c1-26-22(25)21(24)17-27-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17,24H2,1H3/t21-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
120 -39.5n/an/an/an/an/an/a25



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
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23812
PNG
(CHEMBL232728 | S-Trityl-L-Cysteine (STLC) Analogue...)
Show SMILES COC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H23NO2S/c1-26-22(25)21(24)17-27-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17,24H2,1H3/t21-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/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
3D Structure (docked)