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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 = 'BDBM41796'   
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))
BDBM41796
PNG
(MLS000088375 | N-(3-ethoxypropyl)-4-phenoxy-butana...)
Show SMILES CCOCCCNC(=O)CCCOc1ccccc1
Show InChI InChI=1S/C15H23NO3/c1-2-18-12-7-11-16-15(17)10-6-13-19-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,16,17)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
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))
BDBM41796
PNG
(MLS000088375 | N-(3-ethoxypropyl)-4-phenoxy-butana...)
Show SMILES CCOCCCNC(=O)CCCOc1ccccc1
Show InChI InChI=1S/C15H23NO3/c1-2-18-12-7-11-16-15(17)10-6-13-19-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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))
BDBM41796
PNG
(MLS000088375 | N-(3-ethoxypropyl)-4-phenoxy-butana...)
Show SMILES CCOCCCNC(=O)CCCOc1ccccc1
Show InChI InChI=1S/C15H23NO3/c1-2-18-12-7-11-16-15(17)10-6-13-19-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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