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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 = 'BDBM41779'   
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))
BDBM41779
PNG
(1-acetyl-5-bromo-N-(2-pyridinylmethyl)-2,3-dihydro...)
Show SMILES CC(=O)N1CCc2cc(Br)cc(c12)S(=O)(=O)NCc1ccccn1
Show InChI InChI=1S/C16H16BrN3O3S/c1-11(21)20-7-5-12-8-13(17)9-15(16(12)20)24(22,23)19-10-14-4-2-3-6-18-14/h2-4,6,8-9,19H,5,7,10H2,1H3
PDB
MMDB

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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))
BDBM41779
PNG
(1-acetyl-5-bromo-N-(2-pyridinylmethyl)-2,3-dihydro...)
Show SMILES CC(=O)N1CCc2cc(Br)cc(c12)S(=O)(=O)NCc1ccccn1
Show InChI InChI=1S/C16H16BrN3O3S/c1-11(21)20-7-5-12-8-13(17)9-15(16(12)20)24(22,23)19-10-14-4-2-3-6-18-14/h2-4,6,8-9,19H,5,7,10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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))
BDBM41779
PNG
(1-acetyl-5-bromo-N-(2-pyridinylmethyl)-2,3-dihydro...)
Show SMILES CC(=O)N1CCc2cc(Br)cc(c12)S(=O)(=O)NCc1ccccn1
Show InChI InChI=1S/C16H16BrN3O3S/c1-11(21)20-7-5-12-8-13(17)9-15(16(12)20)24(22,23)19-10-14-4-2-3-6-18-14/h2-4,6,8-9,19H,5,7,10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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