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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 = 'BDBM41757'   
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))
BDBM41757
PNG
(Benzo[1,3]dioxole-5-carboxylic acid [4-(4-propiony...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C21H23N3O4/c1-2-20(25)24-11-9-23(10-12-24)17-6-4-16(5-7-17)22-21(26)15-3-8-18-19(13-15)28-14-27-18/h3-8,13H,2,9-12,14H2,1H3,(H,22,26)
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PC cid
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))
BDBM41757
PNG
(Benzo[1,3]dioxole-5-carboxylic acid [4-(4-propiony...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C21H23N3O4/c1-2-20(25)24-11-9-23(10-12-24)17-6-4-16(5-7-17)22-21(26)15-3-8-18-19(13-15)28-14-27-18/h3-8,13H,2,9-12,14H2,1H3,(H,22,26)
PDB
MMDB

NCI pathway
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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/Q2N58JS6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41757
PNG
(Benzo[1,3]dioxole-5-carboxylic acid [4-(4-propiony...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C21H23N3O4/c1-2-20(25)24-11-9-23(10-12-24)17-6-4-16(5-7-17)22-21(26)15-3-8-18-19(13-15)28-14-27-18/h3-8,13H,2,9-12,14H2,1H3,(H,22,26)
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