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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM280577'   
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))
BDBM280577
PNG
(US10030020, Example 122 | US10781211, Example 122)
Show SMILES OC(=O)C1CCN(CC1)c1cc(Cl)cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C25H30ClF6N3O4/c26-18-12-16(13-19(14-18)33-8-2-17(3-9-33)20(36)37)15-35-7-1-4-23(35)5-10-34(11-6-23)22(38)39-21(24(27,28)29)25(30,31)32/h12-14,17,21H,1-11,15H2,(H,36,37)
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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
Monoglyceride lipase


(Homo sapiens (Human))
BDBM280577
PNG
(US10030020, Example 122 | US10781211, Example 122)
Show SMILES OC(=O)C1CCN(CC1)c1cc(Cl)cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C25H30ClF6N3O4/c26-18-12-16(13-19(14-18)33-8-2-17(3-9-33)20(36)37)15-35-7-1-4-23(35)5-10-34(11-6-23)22(38)39-21(24(27,28)29)25(30,31)32/h12-14,17,21H,1-11,15H2,(H,36,37)
PDB
MMDB

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B.MOAD
antibodypedia
GoogleScholar
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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
Human: Proteomes (human prefrontal cortex or cell membrane fractions) (50 μL, 1.0-2.0 mg/mL total protein concentration) were preincubated with ...


US Patent US10781211 (2020)


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


(Mus musculus (mouse))
BDBM280577
PNG
(US10030020, Example 122 | US10781211, Example 122)
Show SMILES OC(=O)C1CCN(CC1)c1cc(Cl)cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C25H30ClF6N3O4/c26-18-12-16(13-19(14-18)33-8-2-17(3-9-33)20(36)37)15-35-7-1-4-23(35)5-10-34(11-6-23)22(38)39-21(24(27,28)29)25(30,31)32/h12-14,17,21H,1-11,15H2,(H,36,37)
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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


(Homo sapiens (Human))
BDBM280577
PNG
(US10030020, Example 122 | US10781211, Example 122)
Show SMILES OC(=O)C1CCN(CC1)c1cc(Cl)cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C25H30ClF6N3O4/c26-18-12-16(13-19(14-18)33-8-2-17(3-9-33)20(36)37)15-35-7-1-4-23(35)5-10-34(11-6-23)22(38)39-21(24(27,28)29)25(30,31)32/h12-14,17,21H,1-11,15H2,(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/a25



ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (human prefrontal cortex or cell membrane fractions) (50 μL, 1.0-2.0 mg/mL total protein concentration) were preincubated with varying...


US Patent US10030020 (2018)


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