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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM280649'   
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))
BDBM280649
PNG
(US10030020, Example 194 | US10781211, Example 194)
Show SMILES OC(=O)C1CCN(Cc2cc(Cl)cc(CN3CCCC33CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)c2)CC1
Show InChI InChI=1S/C26H32ClF6N3O4/c27-20-13-17(15-34-8-2-19(3-9-34)21(37)38)12-18(14-20)16-36-7-1-4-24(36)5-10-35(11-6-24)23(39)40-22(25(28,29)30)26(31,32)33/h12-14,19,22H,1-11,15-16H2,(H,37,38)
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/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))
BDBM280649
PNG
(US10030020, Example 194 | US10781211, Example 194)
Show SMILES OC(=O)C1CCN(Cc2cc(Cl)cc(CN3CCCC33CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)c2)CC1
Show InChI InChI=1S/C26H32ClF6N3O4/c27-20-13-17(15-34-8-2-19(3-9-34)21(37)38)12-18(14-20)16-36-7-1-4-24(36)5-10-35(11-6-24)23(39)40-22(25(28,29)30)26(31,32)33/h12-14,19,22H,1-11,15-16H2,(H,37,38)
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