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BDBM280588 US10030020, Example 133::US10781211, Example 133

SMILES: FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(c(c2)N2CCOCC2)C(F)(F)F)CC1)C(F)(F)F

InChI Key: InChIKey=NTRGSBXESFOVEI-UHFFFAOYSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 280588   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM280588
PNG
(US10030020, Example 133 | US10781211, Example 133)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(c(c2)N2CCOCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-3-2-16(14-18(17)34-10-12-38-13-11-34)15-36-7-1-4-21(36)5-8-35(9-6-21)20(37)39-19(23(28,29)30)24(31,32)33/h2-3,14,19H,1,4-13,15H2
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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
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280588
PNG
(US10030020, Example 133 | US10781211, Example 133)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(c(c2)N2CCOCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-3-2-16(14-18(17)34-10-12-38-13-11-34)15-36-7-1-4-21(36)5-8-35(9-6-21)20(37)39-19(23(28,29)30)24(31,32)33/h2-3,14,19H,1,4-13,15H2
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US Patent
n/an/a>1.00E+3n/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
Monoacylglycerol lipase ABHD2


(Mus musculus (Mouse))
BDBM280588
PNG
(US10030020, Example 133 | US10781211, Example 133)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(c(c2)N2CCOCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-3-2-16(14-18(17)34-10-12-38-13-11-34)15-36-7-1-4-21(36)5-8-35(9-6-21)20(37)39-19(23(28,29)30)24(31,32)33/h2-3,14,19H,1,4-13,15H2
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n/an/a>1.00E+3n/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))
BDBM280588
PNG
(US10030020, Example 133 | US10781211, Example 133)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(c(c2)N2CCOCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-3-2-16(14-18(17)34-10-12-38-13-11-34)15-36-7-1-4-21(36)5-8-35(9-6-21)20(37)39-19(23(28,29)30)24(31,32)33/h2-3,14,19H,1,4-13,15H2
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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)

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


(Mus musculus (mouse))
BDBM280588
PNG
(US10030020, Example 133 | US10781211, Example 133)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(c(c2)N2CCOCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-3-2-16(14-18(17)34-10-12-38-13-11-34)15-36-7-1-4-21(36)5-8-35(9-6-21)20(37)39-19(23(28,29)30)24(31,32)33/h2-3,14,19H,1,4-13,15H2
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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
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280588
PNG
(US10030020, Example 133 | US10781211, Example 133)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(c(c2)N2CCOCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-3-2-16(14-18(17)34-10-12-38-13-11-34)15-36-7-1-4-21(36)5-8-35(9-6-21)20(37)39-19(23(28,29)30)24(31,32)33/h2-3,14,19H,1,4-13,15H2
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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
Monoacylglycerol lipase ABHD6


(Mus musculus (mouse))
BDBM280588
PNG
(US10030020, Example 133 | US10781211, Example 133)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(c(c2)N2CCOCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-3-2-16(14-18(17)34-10-12-38-13-11-34)15-36-7-1-4-21(36)5-8-35(9-6-21)20(37)39-19(23(28,29)30)24(31,32)33/h2-3,14,19H,1,4-13,15H2
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n/an/a>1.00E+3n/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


(Homo sapiens (Human))
BDBM280588
PNG
(US10030020, Example 133 | US10781211, Example 133)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(c(c2)N2CCOCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-3-2-16(14-18(17)34-10-12-38-13-11-34)15-36-7-1-4-21(36)5-8-35(9-6-21)20(37)39-19(23(28,29)30)24(31,32)33/h2-3,14,19H,1,4-13,15H2
PDB
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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