BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase PLK1' and Ligand = 'BDBM41776'   
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))
BDBM41776
PNG
(3-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]carbo...)
Show SMILES CCn1cnc2sc(C(=O)N3CCN(CC3)c3ccc(OC)cc3)c(C)c2c1=O
Show InChI InChI=1S/C21H24N4O3S/c1-4-23-13-22-19-17(20(23)26)14(2)18(29-19)21(27)25-11-9-24(10-12-25)15-5-7-16(28-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3
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/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))
BDBM41776
PNG
(3-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]carbo...)
Show SMILES CCn1cnc2sc(C(=O)N3CCN(CC3)c3ccc(OC)cc3)c(C)c2c1=O
Show InChI InChI=1S/C21H24N4O3S/c1-4-23-13-22-19-17(20(23)26)14(2)18(29-19)21(27)25-11-9-24(10-12-25)15-5-7-16(28-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3
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))
BDBM41776
PNG
(3-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]carbo...)
Show SMILES CCn1cnc2sc(C(=O)N3CCN(CC3)c3ccc(OC)cc3)c(C)c2c1=O
Show InChI InChI=1S/C21H24N4O3S/c1-4-23-13-22-19-17(20(23)26)14(2)18(29-19)21(27)25-11-9-24(10-12-25)15-5-7-16(28-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3
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