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BDBM50385929 CHEMBL2042039

SMILES: CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)s1)c1ccccc1C(F)(F)F

InChI Key: InChIKey=SITZGFMKDKYGPO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50385929   
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))
BDBM50385929
PNG
(CHEMBL2042039)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)s1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C30H29F3N4O3S/c1-18(22-4-2-3-5-25(22)30(31,32)33)40-26-15-19(6-8-23(26)29(35)38)24-14-20(16-36-28(24)34)27-9-7-21(41-27)17-37-10-12-39-13-11-37/h2-9,14-16,18H,10-13,17H2,1H3,(H2,34,36)(H2,35,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 318n/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