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PDB code 3K3B

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
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 1

  (368/368 = 100%)
(Homo sapiens)
BDBM50305248
PNG
(1-(1-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyr...)
Show SMILES CC(=O)N1CCc2c([nH]c3ccc(C)cc23)C1c1cccc(O)c1
Show InChI InChI=1S/C20H20N2O2/c1-12-6-7-18-17(10-12)16-8-9-22(13(2)23)20(19(16)21-18)14-4-3-5-15(24)11-14/h3-7,10-11,20-21,24H,8-9H2,1-2H3
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MMDB

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n/an/a 200n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of EG5 after 2 hrs


Bioorg Med Chem Lett 20: 157-60 (2010)

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