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SMILES: CC(C)OCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1

InChI Key: InChIKey=NNNDGXJQBMEKOL-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 = 41780   
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))
BDBM41780
PNG
(MLS000086701 | N-(4-{[(3-isopropoxypropyl)amino]ca...)
Show SMILES CC(C)OCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1
Show InChI InChI=1S/C18H26N2O4/c1-13(2)23-12-4-10-19-17(21)14-6-8-15(9-7-14)20-18(22)16-5-3-11-24-16/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,19,21)(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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))
BDBM41780
PNG
(MLS000086701 | N-(4-{[(3-isopropoxypropyl)amino]ca...)
Show SMILES CC(C)OCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1
Show InChI InChI=1S/C18H26N2O4/c1-13(2)23-12-4-10-19-17(21)14-6-8-15(9-7-14)20-18(22)16-5-3-11-24-16/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,19,21)(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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))
BDBM41780
PNG
(MLS000086701 | N-(4-{[(3-isopropoxypropyl)amino]ca...)
Show SMILES CC(C)OCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1
Show InChI InChI=1S/C18H26N2O4/c1-13(2)23-12-4-10-19-17(21)14-6-8-15(9-7-14)20-18(22)16-5-3-11-24-16/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,19,21)(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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