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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50385925   
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
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50385925
PNG
(CHEMBL2042137)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cccs1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H20F3N3O2S/c1-14(17-5-2-3-6-20(17)25(26,27)28)33-21-12-15(8-9-18(21)24(30)32)19-11-16(13-31-23(19)29)22-7-4-10-34-22/h2-14H,1H3,(H2,29,31)(H2,30,32)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method


J Med Chem 55: 3228-41 (2012)


Article DOI: 10.1021/jm201683b
BindingDB Entry DOI: 10.7270/Q2Q81F4F
More data for this
Ligand-Target Pair