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BDBM280650 US10030020, Example 195

SMILES: CC1(CN(CCO1)c1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F)C(O)=O

InChI Key: InChIKey=BQHWYVYOCHFRCA-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 280650   
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))
BDBM280650
PNG
(US10030020, Example 195)
Show SMILES CC1(CN(CCO1)c1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C26H30F9N3O5/c1-22(20(39)40)15-37(9-10-42-22)18-12-16(11-17(13-18)24(27,28)29)14-38-6-2-3-23(38)4-7-36(8-5-23)21(41)43-19(25(30,31)32)26(33,34)35/h11-13,19H,2-10,14-15H2,1H3,(H,39,40)
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UniProtKB/SwissProt

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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))
BDBM280650
PNG
(US10030020, Example 195)
Show SMILES CC1(CN(CCO1)c1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C26H30F9N3O5/c1-22(20(39)40)15-37(9-10-42-22)18-12-16(11-17(13-18)24(27,28)29)14-38-6-2-3-23(38)4-7-36(8-5-23)21(41)43-19(25(30,31)32)26(33,34)35/h11-13,19H,2-10,14-15H2,1H3,(H,39,40)
PDB
MMDB

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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
Monoacylglycerol lipase ABHD2


(Mus musculus (Mouse))
BDBM280650
PNG
(US10030020, Example 195)
Show SMILES CC1(CN(CCO1)c1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C26H30F9N3O5/c1-22(20(39)40)15-37(9-10-42-22)18-12-16(11-17(13-18)24(27,28)29)14-38-6-2-3-23(38)4-7-36(8-5-23)21(41)43-19(25(30,31)32)26(33,34)35/h11-13,19H,2-10,14-15H2,1H3,(H,39,40)
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
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280650
PNG
(US10030020, Example 195)
Show SMILES CC1(CN(CCO1)c1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C26H30F9N3O5/c1-22(20(39)40)15-37(9-10-42-22)18-12-16(11-17(13-18)24(27,28)29)14-38-6-2-3-23(38)4-7-36(8-5-23)21(41)43-19(25(30,31)32)26(33,34)35/h11-13,19H,2-10,14-15H2,1H3,(H,39,40)
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