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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 = 'BDBM41844'   
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))
BDBM41844
PNG
(2-[(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)m...)
Show SMILES CCN1C(=O)\C(=C\c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H19N3O2/c1-2-27-22-15-9-7-12-18(22)20(24(27)29)16-23-26-21-14-8-6-13-19(21)25(30)28(23)17-10-4-3-5-11-17/h3-16H,2H2,1H3/b20-16+
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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))
BDBM41844
PNG
(2-[(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)m...)
Show SMILES CCN1C(=O)\C(=C\c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H19N3O2/c1-2-27-22-15-9-7-12-18(22)20(24(27)29)16-23-26-21-14-8-6-13-19(21)25(30)28(23)17-10-4-3-5-11-17/h3-16H,2H2,1H3/b20-16+
PDB
MMDB

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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))
BDBM41844
PNG
(2-[(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)m...)
Show SMILES CCN1C(=O)\C(=C\c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H19N3O2/c1-2-27-22-15-9-7-12-18(22)20(24(27)29)16-23-26-21-14-8-6-13-19(21)25(30)28(23)17-10-4-3-5-11-17/h3-16H,2H2,1H3/b20-16+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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Purchase

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