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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM280637'   
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))
BDBM280637
PNG
(US10030020, Example 182 | US10781211, Example 182)
Show SMILES OC(=O)c1ccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F
Show InChI InChI=1S/C21H21F9N2O4/c22-19(23,24)14-10-12(2-3-13(14)15(33)34)11-32-7-1-4-18(32)5-8-31(9-6-18)17(35)36-16(20(25,26)27)21(28,29)30/h2-3,10,16H,1,4-9,11H2,(H,33,34)
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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))
BDBM280637
PNG
(US10030020, Example 182 | US10781211, Example 182)
Show SMILES OC(=O)c1ccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F
Show InChI InChI=1S/C21H21F9N2O4/c22-19(23,24)14-10-12(2-3-13(14)15(33)34)11-32-7-1-4-18(32)5-8-31(9-6-18)17(35)36-16(20(25,26)27)21(28,29)30/h2-3,10,16H,1,4-9,11H2,(H,33,34)
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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))
BDBM280637
PNG
(US10030020, Example 182 | US10781211, Example 182)
Show SMILES OC(=O)c1ccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F
Show InChI InChI=1S/C21H21F9N2O4/c22-19(23,24)14-10-12(2-3-13(14)15(33)34)11-32-7-1-4-18(32)5-8-31(9-6-18)17(35)36-16(20(25,26)27)21(28,29)30/h2-3,10,16H,1,4-9,11H2,(H,33,34)
PDB
MMDB

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B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 550n/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


(Homo sapiens (Human))
BDBM280637
PNG
(US10030020, Example 182 | US10781211, Example 182)
Show SMILES OC(=O)c1ccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F
Show InChI InChI=1S/C21H21F9N2O4/c22-19(23,24)14-10-12(2-3-13(14)15(33)34)11-32-7-1-4-18(32)5-8-31(9-6-18)17(35)36-16(20(25,26)27)21(28,29)30/h2-3,10,16H,1,4-9,11H2,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/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