BindingDB logo
myBDB logout

null

SMILES: CCn1ncc(CN2CCN(CC2)C(=O)Nc2ccccc2C(=O)OC)c1C

InChI Key: InChIKey=DDAPFCDOCILUNS-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 = 41799   
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))
BDBM41799
PNG
(2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piper...)
Show SMILES CCn1ncc(CN2CCN(CC2)C(=O)Nc2ccccc2C(=O)OC)c1C
Show InChI InChI=1S/C20H27N5O3/c1-4-25-15(2)16(13-21-25)14-23-9-11-24(12-10-23)20(27)22-18-8-6-5-7-17(18)19(26)28-3/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,27)
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/Q2Z036KJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41799
PNG
(2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piper...)
Show SMILES CCn1ncc(CN2CCN(CC2)C(=O)Nc2ccccc2C(=O)OC)c1C
Show InChI InChI=1S/C20H27N5O3/c1-4-25-15(2)16(13-21-25)14-23-9-11-24(12-10-23)20(27)22-18-8-6-5-7-17(18)19(26)28-3/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,27)
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))
BDBM41799
PNG
(2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piper...)
Show SMILES CCn1ncc(CN2CCN(CC2)C(=O)Nc2ccccc2C(=O)OC)c1C
Show InChI InChI=1S/C20H27N5O3/c1-4-25-15(2)16(13-21-25)14-23-9-11-24(12-10-23)20(27)22-18-8-6-5-7-17(18)19(26)28-3/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,27)
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