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SMILES: Cc1ccc(cc1)C(=O)c1c[nH]c(c1)C(=O)NCCCN1CCOCC1

InChI Key: InChIKey=XQVAGUMIWDNJTA-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 = 41841   
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))
BDBM41841
PNG
(4-(4-methylbenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-...)
Show SMILES Cc1ccc(cc1)C(=O)c1c[nH]c(c1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C20H25N3O3/c1-15-3-5-16(6-4-15)19(24)17-13-18(22-14-17)20(25)21-7-2-8-23-9-11-26-12-10-23/h3-6,13-14,22H,2,7-12H2,1H3,(H,21,25)
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))
BDBM41841
PNG
(4-(4-methylbenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-...)
Show SMILES Cc1ccc(cc1)C(=O)c1c[nH]c(c1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C20H25N3O3/c1-15-3-5-16(6-4-15)19(24)17-13-18(22-14-17)20(25)21-7-2-8-23-9-11-26-12-10-23/h3-6,13-14,22H,2,7-12H2,1H3,(H,21,25)
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))
BDBM41841
PNG
(4-(4-methylbenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-...)
Show SMILES Cc1ccc(cc1)C(=O)c1c[nH]c(c1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C20H25N3O3/c1-15-3-5-16(6-4-15)19(24)17-13-18(22-14-17)20(25)21-7-2-8-23-9-11-26-12-10-23/h3-6,13-14,22H,2,7-12H2,1H3,(H,21,25)
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