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BDBM50385927 CHEMBL2042139

SMILES: COc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cccs1

InChI Key: InChIKey=QXFRDBIIQWQGLZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50385927   
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))
BDBM50385927
PNG
(CHEMBL2042139)
Show SMILES COc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cccs1
Show InChI InChI=1S/C17H15N3O2S/c1-22-14-8-10(4-5-12(14)17(19)21)13-7-11(9-20-16(13)18)15-3-2-6-23-15/h2-9H,1H3,(H2,18,20)(H2,19,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.05E+4n/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