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PDB code 1Q0B

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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 1

  (367/367 = 100%)
(Homo sapiens)
BDBM50198309
PNG
((S)-4-(3-Hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4...)
Show SMILES CCOC(=O)C1[C@@H](NC(=S)N=C1C)c1cccc(O)c1 |r,c:10|
Show InChI InChI=1/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-/s2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1

  (367/367 = 100%)
(Homo sapiens)
BDBM50198309
PNG
((S)-4-(3-Hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4...)
Show SMILES CCOC(=O)C1[C@@H](NC(=S)N=C1C)c1cccc(O)c1 |r,c:10|
Show InChI InChI=1/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-/s2
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n/an/a 1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of KSP


Bioorg Med Chem Lett 17: 722-6 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
kinesin spindle protein

  (367/367 = 100%)
(Homo sapiens)
BDBM50198309
PNG
((S)-4-(3-Hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4...)
Show SMILES CCOC(=O)C1[C@@H](NC(=S)N=C1C)c1cccc(O)c1 |r,c:10|
Show InChI InChI=1/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-/s2
PDB
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n/an/a 2.07E+4n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output