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BDBM50408227 CHEMBL4171735

SMILES: COc1ccc(cc1)-c1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1

InChI Key: InChIKey=ZAKRSOZCDUBGDH-UHFFFAOYSA-N

Data: 2 KI  4 IC50

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 = 50408227   
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))
BDBM50408227
PNG
(CHEMBL4171735)
Show SMILES COc1ccc(cc1)-c1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H29FN2O3/c1-33-23-14-10-20(11-15-23)24-16-17-30(18-19-8-12-21(28)13-9-19)27(32)25(24)26(31)29-22-6-4-2-3-5-7-22/h8-17,22H,2-7,18H2,1H3,(H,29,31)
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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)


BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408227
PNG
(CHEMBL4171735)
Show SMILES COc1ccc(cc1)-c1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H29FN2O3/c1-33-23-14-10-20(11-15-23)24-16-17-30(18-19-8-12-21(28)13-9-19)27(32)25(24)26(31)29-22-6-4-2-3-5-7-22/h8-17,22H,2-7,18H2,1H3,(H,29,31)
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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)


BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50408227
PNG
(CHEMBL4171735)
Show SMILES COc1ccc(cc1)-c1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H29FN2O3/c1-33-23-14-10-20(11-15-23)24-16-17-30(18-19-8-12-21(28)13-9-19)27(32)25(24)26(31)29-22-6-4-2-3-5-7-22/h8-17,22H,2-7,18H2,1H3,(H,29,31)
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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)


BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50408227
PNG
(CHEMBL4171735)
Show SMILES COc1ccc(cc1)-c1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H29FN2O3/c1-33-23-14-10-20(11-15-23)24-16-17-30(18-19-8-12-21(28)13-9-19)27(32)25(24)26(31)29-22-6-4-2-3-5-7-22/h8-17,22H,2-7,18H2,1H3,(H,29,31)
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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 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)


BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50408227
PNG
(CHEMBL4171735)
Show SMILES COc1ccc(cc1)-c1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H29FN2O3/c1-33-23-14-10-20(11-15-23)24-16-17-30(18-19-8-12-21(28)13-9-19)27(32)25(24)26(31)29-22-6-4-2-3-5-7-22/h8-17,22H,2-7,18H2,1H3,(H,29,31)
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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)


BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50408227
PNG
(CHEMBL4171735)
Show SMILES COc1ccc(cc1)-c1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H29FN2O3/c1-33-23-14-10-20(11-15-23)24-16-17-30(18-19-8-12-21(28)13-9-19)27(32)25(24)26(31)29-22-6-4-2-3-5-7-22/h8-17,22H,2-7,18H2,1H3,(H,29,31)
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PubMed
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)


BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair