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BDBM50235010 CHEMBL4062949

SMILES: C[C@@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(OC3CCN(C)CC3)ccn12)c1ccccc1C(F)(F)F

InChI Key: InChIKey=OZQBPQVARIELDX-GOSISDBHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50235010   
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))		BDBM50235010
PNG
(CHEMBL4062949)
Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(OC3CCN(C)CC3)ccn12)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-26-15-19(7-8-23(26)28(33)37)25-17-34-27-16-21(11-14-36(25)27)39-20-9-12-35(2)13-10-20/h3-8,11,14-18,20H,9-10,12-13H2,1-2H3,(H2,33,37)/t18-/m1/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 591n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs...

Eur J Med Chem 126: 1083-1106 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN
More data for this
Ligand-Target Pair