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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM50503337'   
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))
BDBM50503337
PNG
(CHEMBL4517565)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(Cl)cc2N2CC3CCC(C2)O3)CC1)C(F)(F)F
Show InChI InChI=1S/C21H24ClF6N3O3/c22-14-2-1-13(17(9-14)31-11-15-3-4-16(12-31)33-15)10-29-5-7-30(8-6-29)19(32)34-18(20(23,24)25)21(26,27)28/h1-2,9,15-16,18H,3-8,10-12H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503337
PNG
(CHEMBL4517565)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(Cl)cc2N2CC3CCC(C2)O3)CC1)C(F)(F)F
Show InChI InChI=1S/C21H24ClF6N3O3/c22-14-2-1-13(17(9-14)31-11-15-3-4-16(12-31)33-15)10-29-5-7-30(8-6-29)19(32)34-18(20(23,24)25)21(26,27)28/h1-2,9,15-16,18H,3-8,10-12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair