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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM280507'   
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))
BDBM280507
PNG
(US10030020, Example 52 | US10781211, Example 52)
Show SMILES CC1(C)CC2(CN1Cc1ccc(cc1N1CCC3(C1)CCOCC3)C(F)(F)F)CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C30H38F9N3O3/c1-25(2)17-27(6-10-40(11-7-27)24(43)45-23(29(34,35)36)30(37,38)39)19-42(25)16-20-3-4-21(28(31,32)33)15-22(20)41-12-5-26(18-41)8-13-44-14-9-26/h3-4,15,23H,5-14,16-19H2,1-2H3
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UniProtKB/SwissProt

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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)


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


(Mus musculus (mouse))
BDBM280507
PNG
(US10030020, Example 52 | US10781211, Example 52)
Show SMILES CC1(C)CC2(CN1Cc1ccc(cc1N1CCC3(C1)CCOCC3)C(F)(F)F)CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C30H38F9N3O3/c1-25(2)17-27(6-10-40(11-7-27)24(43)45-23(29(34,35)36)30(37,38)39)19-42(25)16-20-3-4-21(28(31,32)33)15-22(20)41-12-5-26(18-41)8-13-44-14-9-26/h3-4,15,23H,5-14,16-19H2,1-2H3
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