BindingDB logo
myBDB logout

null

SMILES: C(Nc1ccccc1)c1nnc2CCCCCn12

InChI Key: InChIKey=OOJNELXWRKRYSI-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 = 41771   
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))
BDBM41771
PNG
(MLS000057041 | N-(6,7,8,9-tetrahydro-5H-[1,2,4]tri...)
Show SMILES C(Nc1ccccc1)c1nnc2CCCCCn12
Show InChI InChI=1S/C14H18N4/c1-3-7-12(8-4-1)15-11-14-17-16-13-9-5-2-6-10-18(13)14/h1,3-4,7-8,15H,2,5-6,9-11H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
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))
BDBM41771
PNG
(MLS000057041 | N-(6,7,8,9-tetrahydro-5H-[1,2,4]tri...)
Show SMILES C(Nc1ccccc1)c1nnc2CCCCCn12
Show InChI InChI=1S/C14H18N4/c1-3-7-12(8-4-1)15-11-14-17-16-13-9-5-2-6-10-18(13)14/h1,3-4,7-8,15H,2,5-6,9-11H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
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))
BDBM41771
PNG
(MLS000057041 | N-(6,7,8,9-tetrahydro-5H-[1,2,4]tri...)
Show SMILES C(Nc1ccccc1)c1nnc2CCCCCn12
Show InChI InChI=1S/C14H18N4/c1-3-7-12(8-4-1)15-11-14-17-16-13-9-5-2-6-10-18(13)14/h1,3-4,7-8,15H,2,5-6,9-11H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
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