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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 = 'BDBM41830'   
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))
BDBM41830
PNG
(4-keto-4-[(4-keto-2-propyl-5,6,7,8-tetrahydrobenzo...)
Show SMILES CCCc1nc2sc3CCCCc3c2c(=O)n1NC(=O)CCC(O)=O
Show InChI InChI=1S/C17H21N3O4S/c1-2-5-12-18-16-15(10-6-3-4-7-11(10)25-16)17(24)20(12)19-13(21)8-9-14(22)23/h2-9H2,1H3,(H,19,21)(H,22,23)
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))
BDBM41830
PNG
(4-keto-4-[(4-keto-2-propyl-5,6,7,8-tetrahydrobenzo...)
Show SMILES CCCc1nc2sc3CCCCc3c2c(=O)n1NC(=O)CCC(O)=O
Show InChI InChI=1S/C17H21N3O4S/c1-2-5-12-18-16-15(10-6-3-4-7-11(10)25-16)17(24)20(12)19-13(21)8-9-14(22)23/h2-9H2,1H3,(H,19,21)(H,22,23)
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/Q2N58JS6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41830
PNG
(4-keto-4-[(4-keto-2-propyl-5,6,7,8-tetrahydrobenzo...)
Show SMILES CCCc1nc2sc3CCCCc3c2c(=O)n1NC(=O)CCC(O)=O
Show InChI InChI=1S/C17H21N3O4S/c1-2-5-12-18-16-15(10-6-3-4-7-11(10)25-16)17(24)20(12)19-13(21)8-9-14(22)23/h2-9H2,1H3,(H,19,21)(H,22,23)
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