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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM581678'   
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))
BDBM581678
PNG
((2s,4S)-N-((1s,3S)-3-(4-Isopropylphenyl)cyclobutyl...)
Show SMILES CC(C)c1ccc(cc1)[C@@H]1C[C@@H](C1)N(C)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:17.18,11.14,9.9,wD:19.21,$;;;;;;;;;;;;;;;;;;;;;;;;;HN$,(9.21,2.4,;7.87,3.17,;7.87,4.71,;6.54,2.4,;6.54,.86,;5.2,.09,;3.87,.86,;3.87,2.4,;5.2,3.17,;2.54,.09,;1.05,.49,;.65,-1,;2.14,-1.4,;-.68,-1.77,;-.68,-3.31,;-2.02,-1,;-2.02,.54,;-3.35,-1.77,;-3.75,-3.26,;-5.24,-2.86,;-4.84,-1.37,;-5.4,-4.39,;-6.9,-4.71,;-7.67,-3.38,;-9.21,-3.22,;-6.64,-2.23,)|
PDB
MMDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAGL expressed in HeLa cells using [glycerol-1, 3-3H]-oleoyl glycerol as substrate incubated for 1 hr


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00019
BindingDB Entry DOI: 10.7270/Q2NZ8CJX
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581678
PNG
((2s,4S)-N-((1s,3S)-3-(4-Isopropylphenyl)cyclobutyl...)
Show SMILES CC(C)c1ccc(cc1)[C@@H]1C[C@@H](C1)N(C)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:17.18,11.14,9.9,wD:19.21,$;;;;;;;;;;;;;;;;;;;;;;;;;HN$,(9.21,2.4,;7.87,3.17,;7.87,4.71,;6.54,2.4,;6.54,.86,;5.2,.09,;3.87,.86,;3.87,2.4,;5.2,3.17,;2.54,.09,;1.05,.49,;.65,-1,;2.14,-1.4,;-.68,-1.77,;-.68,-3.31,;-2.02,-1,;-2.02,.54,;-3.35,-1.77,;-3.75,-3.26,;-5.24,-2.86,;-4.84,-1.37,;-5.4,-4.39,;-6.9,-4.71,;-7.67,-3.38,;-9.21,-3.22,;-6.64,-2.23,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0400n/an/an/an/an/an/a


TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HM5D9C
More data for this
Ligand-Target Pair