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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 = 'BDBM41824'   
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))
BDBM41824
PNG
(1,5-dimethyl-N-[(4-methylphenyl)methyl]-4-oxidanyl...)
Show SMILES Cc1ccc(CNC(=O)c2cc3c(n2C)c2ccccc2n(C)c3=O)cc1
Show InChI InChI=1S/C22H21N3O2/c1-14-8-10-15(11-9-14)13-23-21(26)19-12-17-20(24(19)2)16-6-4-5-7-18(16)25(3)22(17)27/h4-12H,13H2,1-3H3,(H,23,26)
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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))
BDBM41824
PNG
(1,5-dimethyl-N-[(4-methylphenyl)methyl]-4-oxidanyl...)
Show SMILES Cc1ccc(CNC(=O)c2cc3c(n2C)c2ccccc2n(C)c3=O)cc1
Show InChI InChI=1S/C22H21N3O2/c1-14-8-10-15(11-9-14)13-23-21(26)19-12-17-20(24(19)2)16-6-4-5-7-18(16)25(3)22(17)27/h4-12H,13H2,1-3H3,(H,23,26)
PDB
MMDB

NCI pathway
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KEGG

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antibodypedia
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PC cid
PC sid
UniChem

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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))
BDBM41824
PNG
(1,5-dimethyl-N-[(4-methylphenyl)methyl]-4-oxidanyl...)
Show SMILES Cc1ccc(CNC(=O)c2cc3c(n2C)c2ccccc2n(C)c3=O)cc1
Show InChI InChI=1S/C22H21N3O2/c1-14-8-10-15(11-9-14)13-23-21(26)19-12-17-20(24(19)2)16-6-4-5-7-18(16)25(3)22(17)27/h4-12H,13H2,1-3H3,(H,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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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