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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase PLK1' and Ligand = 'BDBM50297978'   
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))
BDBM50297978
PNG
((R)-3-(1-(2-chloro-4-((4-methylpiperazin-1-yl)meth...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCN(C)CC2)cc1Cl |r|
Show InChI InChI=1S/C26H28ClN5O2S/c1-17(19-7-6-18(13-20(19)27)16-31-11-9-30(2)10-12-31)34-22-14-23(35-25(22)26(28)33)21-15-29-24-5-3-4-8-32(21)24/h3-8,13-15,17H,9-12,16H2,1-2H3,(H2,28,33)/t17-/m1/s1
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MMDB

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Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297978
PNG
((R)-3-(1-(2-chloro-4-((4-methylpiperazin-1-yl)meth...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCN(C)CC2)cc1Cl |r|
Show InChI InChI=1S/C26H28ClN5O2S/c1-17(19-7-6-18(13-20(19)27)16-31-11-9-30(2)10-12-31)34-22-14-23(35-25(22)26(28)33)21-15-29-24-5-3-4-8-32(21)24/h3-8,13-15,17H,9-12,16H2,1-2H3,(H2,28,33)/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.20E+5n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1-mediated mitosis in human HeLaS3 cells after 18 hrs


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair