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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM280650'   
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))
BDBM280650
PNG
(US10030020, Example 195)
Show SMILES CC1(CN(CCO1)c1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C26H30F9N3O5/c1-22(20(39)40)15-37(9-10-42-22)18-12-16(11-17(13-18)24(27,28)29)14-38-6-2-3-23(38)4-7-36(8-5-23)21(41)43-19(25(30,31)32)26(33,34)35/h11-13,19H,2-10,14-15H2,1H3,(H,39,40)
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))
BDBM280650
PNG
(US10030020, Example 195)
Show SMILES CC1(CN(CCO1)c1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C26H30F9N3O5/c1-22(20(39)40)15-37(9-10-42-22)18-12-16(11-17(13-18)24(27,28)29)14-38-6-2-3-23(38)4-7-36(8-5-23)21(41)43-19(25(30,31)32)26(33,34)35/h11-13,19H,2-10,14-15H2,1H3,(H,39,40)
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