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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase PLK1' and Ligand = 'BDBM41763'   
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))
BDBM41763
PNG
((5E)-1-(4-methylphenyl)-5-[(2-morpholin-4-ylethyla...)
Show SMILES Cc1ccc(cc1)-n1c(O)c(C=NCCN2CCOCC2)c(=O)[nH]c1=O |w:12.13|
Show InChI InChI=1S/C18H22N4O4/c1-13-2-4-14(5-3-13)22-17(24)15(16(23)20-18(22)25)12-19-6-7-21-8-10-26-11-9-21/h2-5,12,24H,6-11H2,1H3,(H,20,23,25)
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PC cid
PC sid
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PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41763
PNG
((5E)-1-(4-methylphenyl)-5-[(2-morpholin-4-ylethyla...)
Show SMILES Cc1ccc(cc1)-n1c(O)c(C=NCCN2CCOCC2)c(=O)[nH]c1=O |w:12.13|
Show InChI InChI=1S/C18H22N4O4/c1-13-2-4-14(5-3-13)22-17(24)15(16(23)20-18(22)25)12-19-6-7-21-8-10-26-11-9-21/h2-5,12,24H,6-11H2,1H3,(H,20,23,25)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2N58JS6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41763
PNG
((5E)-1-(4-methylphenyl)-5-[(2-morpholin-4-ylethyla...)
Show SMILES Cc1ccc(cc1)-n1c(O)c(C=NCCN2CCOCC2)c(=O)[nH]c1=O |w:12.13|
Show InChI InChI=1S/C18H22N4O4/c1-13-2-4-14(5-3-13)22-17(24)15(16(23)20-18(22)25)12-19-6-7-21-8-10-26-11-9-21/h2-5,12,24H,6-11H2,1H3,(H,20,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z036KJ
More data for this
Ligand-Target Pair