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SMILES: OC(=O)C1CCN(CC1)c1cc(Cl)cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1

InChI Key: InChIKey=RWGAODURMBFRAT-UHFFFAOYSA-N

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 = 280577   
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


(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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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
Fatty-acid amide hydrolase 1


(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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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))
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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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))
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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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


(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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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
Fatty-acid amide hydrolase 1


(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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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
Monoacylglycerol lipase ABHD6


(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)
PDB

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PC cid
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UniChem
US Patent
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))
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
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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