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BDBM50385920 CHEMBL2042033

SMILES: CC(Oc1cc(ccc1C(N)=O)-c1nc(cnc1N)-c1ccc(CN(C)C)s1)c1ccccc1C(F)(F)F

InChI Key: InChIKey=JBRZKYLSQYOAJO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50385920   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50385920
PNG
(CHEMBL2042033)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1nc(cnc1N)-c1ccc(CN(C)C)s1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O2S/c1-15(18-6-4-5-7-20(18)27(28,29)30)37-22-12-16(8-10-19(22)26(32)36)24-25(31)33-13-21(34-24)23-11-9-17(38-23)14-35(2)3/h4-13,15H,14H2,1-3H3,(H2,31,33)(H2,32,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.68E+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