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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM280652'   
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


(Homo sapiens (Human))
BDBM280652
PNG
(US10030020, Example 197)
Show SMILES OC(=O)C1CN(CCO1)c1cc(ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H28F9N3O5/c26-23(27,28)16-3-2-15(17(12-16)36-10-11-41-18(14-36)19(38)39)13-37-7-1-4-22(37)5-8-35(9-6-22)21(40)42-20(24(29,30)31)25(32,33)34/h2-3,12,18,20H,1,4-11,13-14H2,(H,38,39)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280652
PNG
(US10030020, Example 197)
Show SMILES OC(=O)C1CN(CCO1)c1cc(ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H28F9N3O5/c26-23(27,28)16-3-2-15(17(12-16)36-10-11-41-18(14-36)19(38)39)13-37-7-1-4-22(37)5-8-35(9-6-22)21(40)42-20(24(29,30)31)25(32,33)34/h2-3,12,18,20H,1,4-11,13-14H2,(H,38,39)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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