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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM280598'   
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))
BDBM280598
PNG
(US10030020, Example 143 | US10781211, Example 143)
Show SMILES CS(=O)(=O)N1CCCc2cccc(CN3CCCC33CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)c12
Show InChI InChI=1S/C23H29F6N3O4S/c1-37(34,35)32-12-3-7-16-5-2-6-17(18(16)32)15-31-11-4-8-21(31)9-13-30(14-10-21)20(33)36-19(22(24,25)26)23(27,28)29/h2,5-6,19H,3-4,7-15H2,1H3
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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))
BDBM280598
PNG
(US10030020, Example 143 | US10781211, Example 143)
Show SMILES CS(=O)(=O)N1CCCc2cccc(CN3CCCC33CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)c12
Show InChI InChI=1S/C23H29F6N3O4S/c1-37(34,35)32-12-3-7-16-5-2-6-17(18(16)32)15-31-11-4-8-21(31)9-13-30(14-10-21)20(33)36-19(22(24,25)26)23(27,28)29/h2,5-6,19H,3-4,7-15H2,1H3
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