BindingDB logo
myBDB logout

BDBM50051809 (N-methylmorpholino)ethanol hexadecyl phosphonate::CHEMBL88487::Hexadecyl[2-(N-Methylmorpholinio)ethyl]phosphate

SMILES: CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCOCC1

InChI Key: InChIKey=DKIZRNDMUNKRJV-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50051809   
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
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50051809
PNG
((N-methylmorpholino)ethanol hexadecyl phosphonate ...)
Show SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCOCC1
Show InChI InChI=1S/C23H48NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-28-30(25,26)29-23-19-24(2)17-21-27-22-18-24/h3-23H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 2 (cdc2) kinase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50051809
PNG
((N-methylmorpholino)ethanol hexadecyl phosphonate ...)
Show SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCOCC1
Show InChI InChI=1S/C23H48NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-28-30(25,26)29-23-19-24(2)17-21-27-22-18-24/h3-23H2,1-2H3
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 25 (Cdc25) phosphatase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair