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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride Lipase (MGL)' and Ligand = 'BDBM280565'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM280565
PNG
(US10030020, Example 110 | US10781211, Example 110)
Show SMILES FC1CCN(CC1)c1cccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1Cl
Show InChI InChI=1S/C24H29ClF7N3O2/c25-19-16(3-1-4-18(19)33-11-5-17(26)6-12-33)15-35-10-2-7-22(35)8-13-34(14-9-22)21(36)37-20(23(27,28)29)24(30,31)32/h1,3-4,17,20H,2,5-15H2
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KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



LUNDBECK LA JOLLA RESEARCH CENTER, INC.

US Patent


Assay Description
MAGL, ABHD6 and FAAH: Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated...


US Patent US10781211 (2020)

More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM280565
PNG
(US10030020, Example 110 | US10781211, Example 110)
Show SMILES FC1CCN(CC1)c1cccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1Cl
Show InChI InChI=1S/C24H29ClF7N3O2/c25-19-16(3-1-4-18(19)33-11-5-17(26)6-12-33)15-35-10-2-7-22(35)8-13-34(14-9-22)21(36)37-20(23(27,28)29)24(30,31)32/h1,3-4,17,20H,2,5-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



ABIDE THERAPEUTICS, INC.

US Patent


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


US Patent US10030020 (2018)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair