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BDBM41757 Benzo[1,3]dioxole-5-carboxylic acid [4-(4-propionyl-piperazin-1-yl)-phenyl]-amide::MLS000033956::N-[4-(4-propanoylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide::N-[4-(4-propionylpiperazino)phenyl]-piperonylamide::N-[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide::SMR000014586::cid_652011

SMILES: CCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc3OCOc3c2)cc1

InChI Key: InChIKey=OHJWZEMHHPSNLZ-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 41757   
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))
BDBM41757
PNG
(Benzo[1,3]dioxole-5-carboxylic acid [4-(4-propiony...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C21H23N3O4/c1-2-20(25)24-11-9-23(10-12-24)17-6-4-16(5-7-17)22-21(26)15-3-8-18-19(13-15)28-14-27-18/h3-8,13H,2,9-12,14H2,1H3,(H,22,26)
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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

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))
BDBM41757
PNG
(Benzo[1,3]dioxole-5-carboxylic acid [4-(4-propiony...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C21H23N3O4/c1-2-20(25)24-11-9-23(10-12-24)17-6-4-16(5-7-17)22-21(26)15-3-8-18-19(13-15)28-14-27-18/h3-8,13H,2,9-12,14H2,1H3,(H,22,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



University of Pittsburgh

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))
BDBM41757
PNG
(Benzo[1,3]dioxole-5-carboxylic acid [4-(4-propiony...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C21H23N3O4/c1-2-20(25)24-11-9-23(10-12-24)17-6-4-16(5-7-17)22-21(26)15-3-8-18-19(13-15)28-14-27-18/h3-8,13H,2,9-12,14H2,1H3,(H,22,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

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