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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 = 'BDBM41791'   
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))
BDBM41791
PNG
(2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]ace...)
Show SMILES COC(=O)CNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 |TLB:6:8:12:16.15.18,17:16:12:8.20.9,THB:6:8:15:10.12.18,19:8:12:16.15.18,9:10:15:8.19.20,9:8:15:10.12.18,11:10:15:8.19.20|
Show InChI InChI=1S/C17H27NO3/c1-14-6-15(2)8-16(3,7-14)11-17(9-14,10-15)13(20)18-5-12(19)21-4/h5-11H2,1-4H3,(H,18,20)
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MMDB

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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))
BDBM41791
PNG
(2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]ace...)
Show SMILES COC(=O)CNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 |TLB:6:8:12:16.15.18,17:16:12:8.20.9,THB:6:8:15:10.12.18,19:8:12:16.15.18,9:10:15:8.19.20,9:8:15:10.12.18,11:10:15:8.19.20|
Show InChI InChI=1S/C17H27NO3/c1-14-6-15(2)8-16(3,7-14)11-17(9-14,10-15)13(20)18-5-12(19)21-4/h5-11H2,1-4H3,(H,18,20)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


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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))
BDBM41791
PNG
(2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]ace...)
Show SMILES COC(=O)CNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 |TLB:6:8:12:16.15.18,17:16:12:8.20.9,THB:6:8:15:10.12.18,19:8:12:16.15.18,9:10:15:8.19.20,9:8:15:10.12.18,11:10:15:8.19.20|
Show InChI InChI=1S/C17H27NO3/c1-14-6-15(2)8-16(3,7-14)11-17(9-14,10-15)13(20)18-5-12(19)21-4/h5-11H2,1-4H3,(H,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


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