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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM280487'   
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


(Mus musculus (mouse))
BDBM280487
PNG
(US10030020, Example 32 | US10781211, Example 32)
Show SMILES CCOc1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C21H25ClF6N2O3/c1-2-32-16-12-14(4-5-15(16)22)13-30-9-3-6-19(30)7-10-29(11-8-19)18(31)33-17(20(23,24)25)21(26,27)28/h4-5,12,17H,2-3,6-11,13H2,1H3
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UniProtKB/SwissProt

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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)


BindingDB Entry DOI: 10.7270/Q2RX9G56
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280487
PNG
(US10030020, Example 32 | US10781211, Example 32)
Show SMILES CCOc1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C21H25ClF6N2O3/c1-2-32-16-12-14(4-5-15(16)22)13-30-9-3-6-19(30)7-10-29(11-8-19)18(31)33-17(20(23,24)25)21(26,27)28/h4-5,12,17H,2-3,6-11,13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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