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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM50255805'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255805
PNG
(CHEMBL4086931)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1ccn(n1)-c1ccc(F)cc1)C(=O)O[C@H](CF)C(F)(F)F |r|
Show InChI InChI=1S/C18H16F5N3O2/c19-7-15(18(21,22)23)28-17(27)25-8-12-13(9-25)16(12)14-5-6-26(24-14)11-3-1-10(20)2-4-11/h1-6,12-13,15-16H,7-9H2/t12-,13+,15-,16+/m1/s1
PDB
MMDB

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PC cid
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Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Pfizer Worldwide Research and Development , 610 Main Street , Cambridge , Massachusetts 02139 , United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using fluorogenic-7HCA as substrate preincubated for 30 mins followed by substrate addition measured after 60 mi...


J Med Chem 61: 3008-3026 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00070
BindingDB Entry DOI: 10.7270/Q2S46VD4
More data for this
Ligand-Target Pair