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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 = 'BDBM41847'   
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))
BDBM41847
PNG
(MLS000575866 | N-(2-(4-nitrophenyl)-1-{[(2-phenyle...)
Show SMILES [O-][N+](=O)c1ccc(\C=C(\NC(=O)c2ccccc2)C(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O4/c28-23(20-9-5-2-6-10-20)26-22(17-19-11-13-21(14-12-19)27(30)31)24(29)25-16-15-18-7-3-1-4-8-18/h1-14,17H,15-16H2,(H,25,29)(H,26,28)/b22-17+
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))
BDBM41847
PNG
(MLS000575866 | N-(2-(4-nitrophenyl)-1-{[(2-phenyle...)
Show SMILES [O-][N+](=O)c1ccc(\C=C(\NC(=O)c2ccccc2)C(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O4/c28-23(20-9-5-2-6-10-20)26-22(17-19-11-13-21(14-12-19)27(30)31)24(29)25-16-15-18-7-3-1-4-8-18/h1-14,17H,15-16H2,(H,25,29)(H,26,28)/b22-17+
PDB
MMDB

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KEGG

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antibodypedia
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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))
BDBM41847
PNG
(MLS000575866 | N-(2-(4-nitrophenyl)-1-{[(2-phenyle...)
Show SMILES [O-][N+](=O)c1ccc(\C=C(\NC(=O)c2ccccc2)C(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O4/c28-23(20-9-5-2-6-10-20)26-22(17-19-11-13-21(14-12-19)27(30)31)24(29)25-16-15-18-7-3-1-4-8-18/h1-14,17H,15-16H2,(H,25,29)(H,26,28)/b22-17+
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