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SMILES: CN(Cc1cccc(c1)-c1ccncc1)C(=O)OC(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=RBZKWMMBPOHSDF-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 4 hits for monomerid = 179955   
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
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))
BDBM179955
PNG
(US9133148, 3f)
Show SMILES CN(Cc1cccc(c1)-c1ccncc1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H14F6N2O2/c1-25(15(26)27-14(16(18,19)20)17(21,22)23)10-11-3-2-4-13(9-11)12-5-7-24-8-6-12/h2-9,14H,10H2,1H3
PDB
MMDB

KEGG

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US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



The Scripps Research Institute; Abide Therapeutics, Inc.

US Patent


Assay Description
Proteomes (mouse brain membrane fraction or cell lysates) (50 uL, 1.0 mg/mL total protein concentration) were preincubated with varying concentration...


US Patent US9133148 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PR0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM179955
PNG
(US9133148, 3f)
Show SMILES CN(Cc1cccc(c1)-c1ccncc1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H14F6N2O2/c1-25(15(26)27-14(16(18,19)20)17(21,22)23)10-11-3-2-4-13(9-11)12-5-7-24-8-6-12/h2-9,14H,10H2,1H3
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Article
PubMed
n/an/a 123n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of mouse MAGL preincubated for 30 mins followed by FP-Rh addition after 30 mins by gel-based ABPP assay


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM179955
PNG
(US9133148, 3f)
Show SMILES CN(Cc1cccc(c1)-c1ccncc1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H14F6N2O2/c1-25(15(26)27-14(16(18,19)20)17(21,22)23)10-11-3-2-4-13(9-11)12-5-7-24-8-6-12/h2-9,14H,10H2,1H3
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 385n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat MAGL preincubated for 30 mins followed by FP-Rh addition after 30 mins by gel-based ABPP assay


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM179955
PNG
(US9133148, 3f)
Show SMILES CN(Cc1cccc(c1)-c1ccncc1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H14F6N2O2/c1-25(15(26)27-14(16(18,19)20)17(21,22)23)10-11-3-2-4-13(9-11)12-5-7-24-8-6-12/h2-9,14H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.90n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length MAGL expressed in HEK293 cells preincubated for 30 mins followed by FP-Rh addition after 30 mins by gel-b...


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair