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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM280651'   
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))
BDBM280651
PNG
(US10030020, Example 196 | US10781211, Example 196)
Show SMILES OC(=O)[C@@H]1CCCCN1c1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H30F9N3O4/c27-24(28,29)17-12-16(13-18(14-17)38-9-2-1-4-19(38)20(39)40)15-37-8-3-5-23(37)6-10-36(11-7-23)22(41)42-21(25(30,31)32)26(33,34)35/h12-14,19,21H,1-11,15H2,(H,39,40)/t19-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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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
Human: Proteomes (human prefrontal cortex or cell membrane fractions) (50 μL, 1.0-2.0 mg/mL total protein concentration) were preincubated with ...


US Patent US10781211 (2020)


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


(Homo sapiens (Human))
BDBM280651
PNG
(US10030020, Example 196 | US10781211, Example 196)
Show SMILES OC(=O)[C@@H]1CCCCN1c1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H30F9N3O4/c27-24(28,29)17-12-16(13-18(14-17)38-9-2-1-4-19(38)20(39)40)15-37-8-3-5-23(37)6-10-36(11-7-23)22(41)42-21(25(30,31)32)26(33,34)35/h12-14,19,21H,1-11,15H2,(H,39,40)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

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