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BDBM50160290 CHEMBL3786806

SMILES: Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2ccnc2)C1=O)c1ccc2OCOc2c1

InChI Key: InChIKey=WCCUFVDQOJTSAT-DHIUTWEWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50160290   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160290
PNG
(CHEMBL3786806)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2ccnc2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C25H23FN4O4/c26-18-4-1-16(2-5-18)22-23(17-3-6-20-21(13-17)34-15-33-20)30(24(22)31)19-7-10-28(11-8-19)25(32)29-12-9-27-14-29/h1-6,9,12-14,19,22-23H,7-8,10-11,15H2/t22-,23-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...


J Med Chem 59: 2612-32 (2016)


BindingDB Entry DOI: 10.7270/Q21R6SC7
More data for this
Ligand-Target Pair