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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase PLK1' and Ligand = 'BDBM50526303'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50526303
PNG
(CHEMBL4457809)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3ccccc3)c2n1)C(=O)NC1CCN(C)CC1 |r|
Show InChI InChI=1S/C31H39N7O3/c1-5-25-30(40)37(4)26-19-32-31(35-28(26)38(25)20-21-10-8-7-9-11-21)34-24-13-12-22(18-27(24)41-6-2)29(39)33-23-14-16-36(3)17-15-23/h7-13,18-19,23,25H,5-6,14-17,20H2,1-4H3,(H,33,39)(H,32,34,35)/t25-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 84n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) using Ser/Thr 16 as substrate after 60 mins by Z-LYTE activity assay


J Med Chem 62: 2618-2637 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01947
BindingDB Entry DOI: 10.7270/Q28S4TBZ
More data for this
Ligand-Target Pair