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BDBM50247051 CHEMBL512224::isopropyl 4-nitrophenyl dodecylphosphonate

SMILES: CCCCCCCCCCCCP(=O)(OC(C)C)Oc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=VZXZHBVWVCMVBS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50247051   
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
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50247051
PNG
(CHEMBL512224 | isopropyl 4-nitrophenyl dodecylphos...)
Show SMILES CCCCCCCCCCCCP(=O)(OC(C)C)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H36NO5P/c1-4-5-6-7-8-9-10-11-12-13-18-28(25,26-19(2)3)27-21-16-14-20(15-17-21)22(23)24/h14-17,19H,4-13,18H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [3H]anadamide hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50247051
PNG
(CHEMBL512224 | isopropyl 4-nitrophenyl dodecylphos...)
Show SMILES CCCCCCCCCCCCP(=O)(OC(C)C)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H36NO5P/c1-4-5-6-7-8-9-10-11-12-13-18-28(25,26-19(2)3)27-21-16-14-20(15-17-21)22(23)24/h14-17,19H,4-13,18H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.280n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50247051
PNG
(CHEMBL512224 | isopropyl 4-nitrophenyl dodecylphos...)
Show SMILES CCCCCCCCCCCCP(=O)(OC(C)C)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H36NO5P/c1-4-5-6-7-8-9-10-11-12-13-18-28(25,26-19(2)3)27-21-16-14-20(15-17-21)22(23)24/h14-17,19H,4-13,18H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair