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2 similar compounds to monomer 50094670

Compile data set for download or QSAR
Wt: 369.3
BDBM50016502
Wt: 369.3
BDBM50016497

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50016502,50016497   
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 PLK1


(Homo sapiens (human))
BDBM50016502
PNG
(CHEMBL3260248)
Show SMILES [O-][N+](=O)c1ccc(\C=C\C(=O)NNC(=O)c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C18H15N3O6/c22-17(8-3-12-1-5-14(6-2-12)21(24)25)19-20-18(23)13-4-7-15-16(11-13)27-10-9-26-15/h1-8,11H,9-10H2,(H,19,22)(H,20,23)/b8-3+
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) using RRRDELMEASFADQEAKV as substrate after 20 mins by liquid scintillation counting analysis


Eur J Med Chem 81: 420-6 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.026
BindingDB Entry DOI: 10.7270/Q2ZP47PK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50016497
PNG
(CHEMBL3260242)
Show SMILES [O-][N+](=O)c1cccc(\C=C\C(=O)NNC(=O)c2ccc3OCCOc3c2)c1
Show InChI InChI=1S/C18H15N3O6/c22-17(7-4-12-2-1-3-14(10-12)21(24)25)19-20-18(23)13-5-6-15-16(11-13)27-9-8-26-15/h1-7,10-11H,8-9H2,(H,19,22)(H,20,23)/b7-4+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.55E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) using RRRDELMEASFADQEAKV as substrate after 20 mins by liquid scintillation counting analysis


Eur J Med Chem 81: 420-6 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.026
BindingDB Entry DOI: 10.7270/Q2ZP47PK
More data for this
Ligand-Target Pair