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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 = 'BDBM41773'   
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))
BDBM41773
PNG
(4-[[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoy...)
Show SMILES OC(=O)c1ccc(CNC(=O)CN2C(=O)COc3ccccc23)cc1
Show InChI InChI=1S/C18H16N2O5/c21-16(19-9-12-5-7-13(8-6-12)18(23)24)10-20-14-3-1-2-4-15(14)25-11-17(20)22/h1-8H,9-11H2,(H,19,21)(H,23,24)
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MMDB

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PC sid
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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))
BDBM41773
PNG
(4-[[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoy...)
Show SMILES OC(=O)c1ccc(CNC(=O)CN2C(=O)COc3ccccc23)cc1
Show InChI InChI=1S/C18H16N2O5/c21-16(19-9-12-5-7-13(8-6-12)18(23)24)10-20-14-3-1-2-4-15(14)25-11-17(20)22/h1-8H,9-11H2,(H,19,21)(H,23,24)
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/Q2N58JS6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41773
PNG
(4-[[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoy...)
Show SMILES OC(=O)c1ccc(CNC(=O)CN2C(=O)COc3ccccc23)cc1
Show InChI InChI=1S/C18H16N2O5/c21-16(19-9-12-5-7-13(8-6-12)18(23)24)10-20-14-3-1-2-4-15(14)25-11-17(20)22/h1-8H,9-11H2,(H,19,21)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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