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SMILES: FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(OC3CCS(=O)(=O)CC3)cc(c2)C(F)(F)F)CC1)C(F)(F)F

InChI Key: InChIKey=XBZRKORYNMCHJK-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 6 hits for monomerid = 280631   
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))
BDBM280631
PNG
(US10030020, Example 176 | US10781211, Example 176)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(OC3CCS(=O)(=O)CC3)cc(c2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C25H29F9N2O5S/c26-23(27,28)17-12-16(13-19(14-17)40-18-2-10-42(38,39)11-3-18)15-36-7-1-4-22(36)5-8-35(9-6-22)21(37)41-20(24(29,30)31)25(32,33)34/h12-14,18,20H,1-11,15H2
Reactome pathway
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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
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))
BDBM280631
PNG
(US10030020, Example 176 | US10781211, Example 176)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(OC3CCS(=O)(=O)CC3)cc(c2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C25H29F9N2O5S/c26-23(27,28)17-12-16(13-19(14-17)40-18-2-10-42(38,39)11-3-18)15-36-7-1-4-22(36)5-8-35(9-6-22)21(37)41-20(24(29,30)31)25(32,33)34/h12-14,18,20H,1-11,15H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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 ABHD6


(Mus musculus (mouse))
BDBM280631
PNG
(US10030020, Example 176 | US10781211, Example 176)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(OC3CCS(=O)(=O)CC3)cc(c2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C25H29F9N2O5S/c26-23(27,28)17-12-16(13-19(14-17)40-18-2-10-42(38,39)11-3-18)15-36-7-1-4-22(36)5-8-35(9-6-22)21(37)41-20(24(29,30)31)25(32,33)34/h12-14,18,20H,1-11,15H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
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


(Mus musculus (mouse))
BDBM280631
PNG
(US10030020, Example 176 | US10781211, Example 176)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(OC3CCS(=O)(=O)CC3)cc(c2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C25H29F9N2O5S/c26-23(27,28)17-12-16(13-19(14-17)40-18-2-10-42(38,39)11-3-18)15-36-7-1-4-22(36)5-8-35(9-6-22)21(37)41-20(24(29,30)31)25(32,33)34/h12-14,18,20H,1-11,15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))
BDBM280631
PNG
(US10030020, Example 176 | US10781211, Example 176)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(OC3CCS(=O)(=O)CC3)cc(c2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C25H29F9N2O5S/c26-23(27,28)17-12-16(13-19(14-17)40-18-2-10-42(38,39)11-3-18)15-36-7-1-4-22(36)5-8-35(9-6-22)21(37)41-20(24(29,30)31)25(32,33)34/h12-14,18,20H,1-11,15H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
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
Monoacylglycerol lipase ABHD2


(Mus musculus (Mouse))
BDBM280631
PNG
(US10030020, Example 176 | US10781211, Example 176)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(OC3CCS(=O)(=O)CC3)cc(c2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C25H29F9N2O5S/c26-23(27,28)17-12-16(13-19(14-17)40-18-2-10-42(38,39)11-3-18)15-36-7-1-4-22(36)5-8-35(9-6-22)21(37)41-20(24(29,30)31)25(32,33)34/h12-14,18,20H,1-11,15H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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