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BDBM50247049 CHEMBL462610::ethyl 3,5,6-trichloropyridin-2-yl dodecylphosphonate

SMILES: CCCCCCCCCCCCP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl

InChI Key: InChIKey=UYTVZWJJIVBXBW-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 = 50247049   
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
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50247049
PNG
(CHEMBL462610 | ethyl 3,5,6-trichloropyridin-2-yl d...)
Show SMILES CCCCCCCCCCCCP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C19H31Cl3NO3P/c1-3-5-6-7-8-9-10-11-12-13-14-27(24,25-4-2)26-19-17(21)15-16(20)18(22)23-19/h15H,3-14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/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
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50247049
PNG
(CHEMBL462610 | ethyl 3,5,6-trichloropyridin-2-yl d...)
Show SMILES CCCCCCCCCCCCP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C19H31Cl3NO3P/c1-3-5-6-7-8-9-10-11-12-13-14-27(24,25-4-2)26-19-17(21)15-16(20)18(22)23-19/h15H,3-14H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 42n/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))
BDBM50247049
PNG
(CHEMBL462610 | ethyl 3,5,6-trichloropyridin-2-yl d...)
Show SMILES CCCCCCCCCCCCP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C19H31Cl3NO3P/c1-3-5-6-7-8-9-10-11-12-13-14-27(24,25-4-2)26-19-17(21)15-16(20)18(22)23-19/h15H,3-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.140n/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