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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM50068216'   
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))
BDBM50068216
PNG
(CHEMBL3403315)
Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r|
Show InChI InChI=1S/C35H56N6O8/c1-9-40(10-2)34(46)28(19-24-13-15-25(48-8)16-14-24)38-32(44)27(18-21(3)4)37-33(45)30(22(5)6)39-31(43)26(36)20-49-35(47)29-12-11-17-41(29)23(7)42/h13-16,21-22,26-30H,9-12,17-20,36H2,1-8H3,(H,37,45)(H,38,44)(H,39,43)/t26-,27-,28-,29-,30-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a>1.45E+5n/an/an/an/an/an/a



Hebei University of Science& Technology

Curated by ChEMBL


Assay Description
Inhibition of MAGL (unknown origin)


Bioorg Med Chem 23: 2562-7 (2015)


Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3
More data for this
Ligand-Target Pair