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BDBM50175126 (5Z,8Z,11Z,14Z)-N-(2,4-dimethoxybenzyl)icosa-5,8,11,14-tetraenamide::CHEMBL197601

SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1ccc(OC)cc1OC

InChI Key: InChIKey=DZIPUPGEVCQAAZ-GKFVBPDJSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50175126   
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 1


(Homo sapiens (Human))
BDBM50175126
PNG
((5Z,8Z,11Z,14Z)-N-(2,4-dimethoxybenzyl)icosa-5,8,1...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1ccc(OC)cc1OC
Show InChI InChI=1S/C29H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(31)30-25-26-22-23-27(32-2)24-28(26)33-3/h8-9,11-12,14-15,17-18,22-24H,4-7,10,13,16,19-21,25H2,1-3H3,(H,30,31)/b9-8-,12-11-,15-14-,18-17-
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200n/an/an/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor


Bioorg Med Chem Lett 16: 138-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.023
BindingDB Entry DOI: 10.7270/Q2JQ11SX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50175126
PNG
((5Z,8Z,11Z,14Z)-N-(2,4-dimethoxybenzyl)icosa-5,8,1...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1ccc(OC)cc1OC
Show InChI InChI=1S/C29H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(31)30-25-26-22-23-27(32-2)24-28(26)33-3/h8-9,11-12,14-15,17-18,22-24H,4-7,10,13,16,19-21,25H2,1-3H3,(H,30,31)/b9-8-,12-11-,15-14-,18-17-
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200n/an/an/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor in presence of hydrolase inhibitor PMSF


Bioorg Med Chem Lett 16: 138-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.023
BindingDB Entry DOI: 10.7270/Q2JQ11SX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50175126
PNG
((5Z,8Z,11Z,14Z)-N-(2,4-dimethoxybenzyl)icosa-5,8,1...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1ccc(OC)cc1OC
Show InChI InChI=1S/C29H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(31)30-25-26-22-23-27(32-2)24-28(26)33-3/h8-9,11-12,14-15,17-18,22-24H,4-7,10,13,16,19-21,25H2,1-3H3,(H,30,31)/b9-8-,12-11-,15-14-,18-17-
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4.00E+3n/an/an/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor


Bioorg Med Chem Lett 16: 138-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.023
BindingDB Entry DOI: 10.7270/Q2JQ11SX
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50175126
PNG
((5Z,8Z,11Z,14Z)-N-(2,4-dimethoxybenzyl)icosa-5,8,1...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1ccc(OC)cc1OC
Show InChI InChI=1S/C29H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(31)30-25-26-22-23-27(32-2)24-28(26)33-3/h8-9,11-12,14-15,17-18,22-24H,4-7,10,13,16,19-21,25H2,1-3H3,(H,30,31)/b9-8-,12-11-,15-14-,18-17-
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n/an/a>2.50E+4n/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain FAAH by [14C]anandamide hydrolysis


Bioorg Med Chem Lett 16: 138-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.023
BindingDB Entry DOI: 10.7270/Q2JQ11SX
More data for this
Ligand-Target Pair