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SMILES: CCOc1ccccc1N1CCN(CC1)C1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O

InChI Key: InChIKey=IWDXUFGXDULHDB-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 41834   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM41834
PNG
(MLS000551587 | N-[1,4-diketo-3-(4-o-phenetylpipera...)
Show SMILES CCOc1ccccc1N1CCN(CC1)C1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:17|
Show InChI InChI=1S/C26H25N3O5S2/c1-2-34-21-11-6-5-10-20(21)28-13-15-29(16-14-28)24-23(27-36(32,33)22-12-7-17-35-22)25(30)18-8-3-4-9-19(18)26(24)31/h3-12,17,27H,2,13-16H2,1H3
PDB
MMDB

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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
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41834
PNG
(MLS000551587 | N-[1,4-diketo-3-(4-o-phenetylpipera...)
Show SMILES CCOc1ccccc1N1CCN(CC1)C1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:17|
Show InChI InChI=1S/C26H25N3O5S2/c1-2-34-21-11-6-5-10-20(21)28-13-15-29(16-14-28)24-23(27-36(32,33)22-12-7-17-35-22)25(30)18-8-3-4-9-19(18)26(24)31/h3-12,17,27H,2,13-16H2,1H3
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))
BDBM41834
PNG
(MLS000551587 | N-[1,4-diketo-3-(4-o-phenetylpipera...)
Show SMILES CCOc1ccccc1N1CCN(CC1)C1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:17|
Show InChI InChI=1S/C26H25N3O5S2/c1-2-34-21-11-6-5-10-20(21)28-13-15-29(16-14-28)24-23(27-36(32,33)22-12-7-17-35-22)25(30)18-8-3-4-9-19(18)26(24)31/h3-12,17,27H,2,13-16H2,1H3
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