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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 = 'BDBM50297985'   
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))
BDBM50297985
PNG
((R)-3-(1-(4-((tert-butylamino)methyl)-2-(difluorom...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1OC(F)F |r|
Show InChI InChI=1S/C26H28F2N4O3S/c1-15(17-9-8-16(13-31-26(2,3)4)11-19(17)35-25(27)28)34-20-12-21(36-23(20)24(29)33)18-14-30-22-7-5-6-10-32(18)22/h5-12,14-15,25,31H,13H2,1-4H3,(H2,29,33)/t15-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 9.80n/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))
BDBM50297985
PNG
((R)-3-(1-(4-((tert-butylamino)methyl)-2-(difluorom...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1OC(F)F |r|
Show InChI InChI=1S/C26H28F2N4O3S/c1-15(17-9-8-16(13-31-26(2,3)4)11-19(17)35-25(27)28)34-20-12-21(36-23(20)24(29)33)18-14-30-22-7-5-6-10-32(18)22/h5-12,14-15,25,31H,13H2,1-4H3,(H2,29,33)/t15-/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 1.90E+4n/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