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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 = 'BDBM41781'   
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))
BDBM41781
PNG
(6-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]s...)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CC1)S(=O)(=O)c1ccc2n(C)c(=O)oc2c1
Show InChI InChI=1S/C19H20ClN3O4S/c1-13-3-4-14(20)11-17(13)22-7-9-23(10-8-22)28(25,26)15-5-6-16-18(12-15)27-19(24)21(16)2/h3-6,11-12H,7-10H2,1-2H3
PDB
MMDB

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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))
BDBM41781
PNG
(6-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]s...)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CC1)S(=O)(=O)c1ccc2n(C)c(=O)oc2c1
Show InChI InChI=1S/C19H20ClN3O4S/c1-13-3-4-14(20)11-17(13)22-7-9-23(10-8-22)28(25,26)15-5-6-16-18(12-15)27-19(24)21(16)2/h3-6,11-12H,7-10H2,1-2H3
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))
BDBM41781
PNG
(6-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]s...)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CC1)S(=O)(=O)c1ccc2n(C)c(=O)oc2c1
Show InChI InChI=1S/C19H20ClN3O4S/c1-13-3-4-14(20)11-17(13)22-7-9-23(10-8-22)28(25,26)15-5-6-16-18(12-15)27-19(24)21(16)2/h3-6,11-12H,7-10H2,1-2H3
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