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SMILES: COc1ccc(cc1)-c1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1

InChI Key: InChIKey=MJXAKHLEXLHOOP-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50408217   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408217
PNG
(CHEMBL4173284)
Show SMILES COc1ccc(cc1)-c1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H28BrFN2O3/c1-34-22-14-10-19(11-15-22)24-23(28)17-31(16-18-8-12-20(29)13-9-18)27(33)25(24)26(32)30-21-6-4-2-3-5-7-21/h8-15,17,21H,2-7,16H2,1H3,(H,30,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408217
PNG
(CHEMBL4173284)
Show SMILES COc1ccc(cc1)-c1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H28BrFN2O3/c1-34-22-14-10-19(11-15-22)24-23(28)17-31(16-18-8-12-20(29)13-9-18)27(33)25(24)26(32)30-21-6-4-2-3-5-7-21/h8-15,17,21H,2-7,16H2,1H3,(H,30,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50408217
PNG
(CHEMBL4173284)
Show SMILES COc1ccc(cc1)-c1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H28BrFN2O3/c1-34-22-14-10-19(11-15-22)24-23(28)17-31(16-18-8-12-20(29)13-9-18)27(33)25(24)26(32)30-21-6-4-2-3-5-7-21/h8-15,17,21H,2-7,16H2,1H3,(H,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of MAGL in human U937 cells using 2-OG containing [glycerol-1,2,3-3H]AEA as substrate preincubated for 30 mins followed by substrate addit...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50408217
PNG
(CHEMBL4173284)
Show SMILES COc1ccc(cc1)-c1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H28BrFN2O3/c1-34-22-14-10-19(11-15-22)24-23(28)17-31(16-18-8-12-20(29)13-9-18)27(33)25(24)26(32)30-21-6-4-2-3-5-7-21/h8-15,17,21H,2-7,16H2,1H3,(H,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured afte...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50408217
PNG
(CHEMBL4173284)
Show SMILES COc1ccc(cc1)-c1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H28BrFN2O3/c1-34-22-14-10-19(11-15-22)24-23(28)17-31(16-18-8-12-20(29)13-9-18)27(33)25(24)26(32)30-21-6-4-2-3-5-7-21/h8-15,17,21H,2-7,16H2,1H3,(H,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of FAAH in human U937 cells using AEA containing [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate additi...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Homo sapiens (Human))
BDBM50408217
PNG
(CHEMBL4173284)
Show SMILES COc1ccc(cc1)-c1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H28BrFN2O3/c1-34-22-14-10-19(11-15-22)24-23(28)17-31(16-18-8-12-20(29)13-9-18)27(33)25(24)26(32)30-21-6-4-2-3-5-7-21/h8-15,17,21H,2-7,16H2,1H3,(H,30,32)
KEGG

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair