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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 = 'BDBM41806'   
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))
BDBM41806
PNG
(MLS000108227 | N-(4-morpholin-4-ylsulfonylphenyl)-...)
Show SMILES O=C(COc1ccccc1)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H20N2O5S/c21-18(14-25-16-4-2-1-3-5-16)19-15-6-8-17(9-7-15)26(22,23)20-10-12-24-13-11-20/h1-9H,10-14H2,(H,19,21)
PDB
MMDB

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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))
BDBM41806
PNG
(MLS000108227 | N-(4-morpholin-4-ylsulfonylphenyl)-...)
Show SMILES O=C(COc1ccccc1)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H20N2O5S/c21-18(14-25-16-4-2-1-3-5-16)19-15-6-8-17(9-7-15)26(22,23)20-10-12-24-13-11-20/h1-9H,10-14H2,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


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))
BDBM41806
PNG
(MLS000108227 | N-(4-morpholin-4-ylsulfonylphenyl)-...)
Show SMILES O=C(COc1ccccc1)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H20N2O5S/c21-18(14-25-16-4-2-1-3-5-16)19-15-6-8-17(9-7-15)26(22,23)20-10-12-24-13-11-20/h1-9H,10-14H2,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


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