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BDBM280597 US10030020, Example 142

SMILES: CC(=O)N1CCCc2cccc(CN3CCCC33CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)c12

InChI Key: InChIKey=QMLHCQVMGNXNSY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 280597   
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))
BDBM280597
PNG
(US10030020, Example 142)
Show SMILES CC(=O)N1CCCc2cccc(CN3CCCC33CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)c12
Show InChI InChI=1S/C24H29F6N3O3/c1-16(34)33-12-3-7-17-5-2-6-18(19(17)33)15-32-11-4-8-22(32)9-13-31(14-10-22)21(35)36-20(23(25,26)27)24(28,29)30/h2,5-6,20H,3-4,7-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/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))
BDBM280597
PNG
(US10030020, Example 142)
Show SMILES CC(=O)N1CCCc2cccc(CN3CCCC33CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)c12
Show InChI InChI=1S/C24H29F6N3O3/c1-16(34)33-12-3-7-17-5-2-6-18(19(17)33)15-32-11-4-8-22(32)9-13-31(14-10-22)21(35)36-20(23(25,26)27)24(28,29)30/h2,5-6,20H,3-4,7-15H2,1H3
UniProtKB/SwissProt

GoogleScholar
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))
BDBM280597
PNG
(US10030020, Example 142)
Show SMILES CC(=O)N1CCCc2cccc(CN3CCCC33CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)c12
Show InChI InChI=1S/C24H29F6N3O3/c1-16(34)33-12-3-7-17-5-2-6-18(19(17)33)15-32-11-4-8-22(32)9-13-31(14-10-22)21(35)36-20(23(25,26)27)24(28,29)30/h2,5-6,20H,3-4,7-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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