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SMILES: COC(=O)c1cc(NC(=O)C2CCCO2)cc(c1)C(=O)OC

InChI Key: InChIKey=PFCZCPVSHGSOQJ-UHFFFAOYSA-N

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 = 41795   
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))
BDBM41795
PNG
(5-(tetrahydrofuran-2-carbonylamino)benzene-1,3-dic...)
Show SMILES COC(=O)c1cc(NC(=O)C2CCCO2)cc(c1)C(=O)OC
Show InChI InChI=1S/C15H17NO6/c1-20-14(18)9-6-10(15(19)21-2)8-11(7-9)16-13(17)12-4-3-5-22-12/h6-8,12H,3-5H2,1-2H3,(H,16,17)
PDB
MMDB

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PC cid
PC sid
UniChem
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))
BDBM41795
PNG
(5-(tetrahydrofuran-2-carbonylamino)benzene-1,3-dic...)
Show SMILES COC(=O)c1cc(NC(=O)C2CCCO2)cc(c1)C(=O)OC
Show InChI InChI=1S/C15H17NO6/c1-20-14(18)9-6-10(15(19)21-2)8-11(7-9)16-13(17)12-4-3-5-22-12/h6-8,12H,3-5H2,1-2H3,(H,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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))
BDBM41795
PNG
(5-(tetrahydrofuran-2-carbonylamino)benzene-1,3-dic...)
Show SMILES COC(=O)c1cc(NC(=O)C2CCCO2)cc(c1)C(=O)OC
Show InChI InChI=1S/C15H17NO6/c1-20-14(18)9-6-10(15(19)21-2)8-11(7-9)16-13(17)12-4-3-5-22-12/h6-8,12H,3-5H2,1-2H3,(H,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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