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BDBM50330591 (+/-)(3R,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-3-ethylpiperidine-4-carboxylic acid::(3R,4R)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid::CHEMBL1230011

SMILES: CC[C@H]1CN(CC[C@H]1C(O)=O)c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=MQOJTCBESRAKQA-XGJSPVFONA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50330591   
Target
(Institution)
LigandTarget
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))
BDBM50330591
PNG
((+/-)(3R,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl)...)
Show SMILES CC[C@H]1CN(CC[C@H]1C(O)=O)c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1 |r|
Show InChI InChI=1/C21H28N4O5/c1-5-12-11-25(7-6-14(12)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-2)18(30-4)17(9-13)29-3/h8-10,12,14H,5-7,11H2,1-4H3,(H2,22,23)(H,26,27)/t12-,14+/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)

More data for this
Ligand-Target Pair