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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM280629'   
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))
BDBM280629
PNG
(US10030020, Example 174 | US10781211, Example 174)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(Oc3cccnc3)cc(c2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C25H24F9N3O3/c26-23(27,28)17-11-16(12-19(13-17)39-18-3-1-7-35-14-18)15-37-8-2-4-22(37)5-9-36(10-6-22)21(38)40-20(24(29,30)31)25(32,33)34/h1,3,7,11-14,20H,2,4-6,8-10,15H2
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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))
BDBM280629
PNG
(US10030020, Example 174 | US10781211, Example 174)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(Oc3cccnc3)cc(c2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C25H24F9N3O3/c26-23(27,28)17-11-16(12-19(13-17)39-18-3-1-7-35-14-18)15-37-8-2-4-22(37)5-9-36(10-6-22)21(38)40-20(24(29,30)31)25(32,33)34/h1,3,7,11-14,20H,2,4-6,8-10,15H2
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