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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM280481'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280481
PNG
(US10030020, Example 26 | US10781211, Example 26)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(cc3N3CC4COCC4C3)C(F)(F)F)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C26H30F9N3O3/c27-24(28,29)19-2-1-16(20(9-19)38-11-17-13-40-14-18(17)12-38)10-36-6-3-23(15-36)4-7-37(8-5-23)22(39)41-21(25(30,31)32)26(33,34)35/h1-2,9,17-18,21H,3-8,10-15H2
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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



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)


BindingDB Entry DOI: 10.7270/Q2RX9G56
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280481
PNG
(US10030020, Example 26 | US10781211, Example 26)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(cc3N3CC4COCC4C3)C(F)(F)F)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C26H30F9N3O3/c27-24(28,29)19-2-1-16(20(9-19)38-11-17-13-40-14-18(17)12-38)10-36-6-3-23(15-36)4-7-37(8-5-23)22(39)41-21(25(30,31)32)26(33,34)35/h1-2,9,17-18,21H,3-8,10-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



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