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2 similar compounds to monomer 50267799

Compile data set for download or QSAR
Wt: 513.7
BDBM50215226
Wt: 499.6
BDBM50215246

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50215226,50215246   
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))
BDBM50215246
PNG
(11-(3-hydroxy-5-pentyl-phenoxy)-undecanoic acid (3...)
Show SMILES CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCc2ccc(OC)c(O)c2)c1
Show InChI InChI=1S/C30H45NO5/c1-3-4-11-14-24-19-26(32)22-27(20-24)36-18-13-10-8-6-5-7-9-12-15-30(34)31-23-25-16-17-29(35-2)28(33)21-25/h16-17,19-22,32-33H,3-15,18,23H2,1-2H3,(H,31,34)
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1.65E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


Bioorg Med Chem 15: 5406-16 (2007)


Article DOI: 10.1016/j.bmc.2007.05.060
BindingDB Entry DOI: 10.7270/Q2T154G7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50215246
PNG
(11-(3-hydroxy-5-pentyl-phenoxy)-undecanoic acid (3...)
Show SMILES CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCc2ccc(OC)c(O)c2)c1
Show InChI InChI=1S/C30H45NO5/c1-3-4-11-14-24-19-26(32)22-27(20-24)36-18-13-10-8-6-5-7-9-12-15-30(34)31-23-25-16-17-29(35-2)28(33)21-25/h16-17,19-22,32-33H,3-15,18,23H2,1-2H3,(H,31,34)
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2.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


Bioorg Med Chem 15: 5406-16 (2007)


Article DOI: 10.1016/j.bmc.2007.05.060
BindingDB Entry DOI: 10.7270/Q2T154G7
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50215246
PNG
(11-(3-hydroxy-5-pentyl-phenoxy)-undecanoic acid (3...)
Show SMILES CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCc2ccc(OC)c(O)c2)c1
Show InChI InChI=1S/C30H45NO5/c1-3-4-11-14-24-19-26(32)22-27(20-24)36-18-13-10-8-6-5-7-9-12-15-30(34)31-23-25-16-17-29(35-2)28(33)21-25/h16-17,19-22,32-33H,3-15,18,23H2,1-2H3,(H,31,34)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of rat brain FAAH assessed as inhibition of [14C]anandamide hydrolysis


Bioorg Med Chem 15: 5406-16 (2007)


Article DOI: 10.1016/j.bmc.2007.05.060
BindingDB Entry DOI: 10.7270/Q2T154G7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50215226
PNG
(11-(4-hexyl-3-hydroxy-phenoxy)-undecanoic acid(3-m...)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCc2ccc(OC)c(O)c2)cc1O
Show InChI InChI=1S/C31H47NO5/c1-3-4-5-12-15-26-18-19-27(23-28(26)33)37-21-14-11-9-7-6-8-10-13-16-31(35)32-24-25-17-20-30(36-2)29(34)22-25/h17-20,22-23,33-34H,3-16,21,24H2,1-2H3,(H,32,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


Bioorg Med Chem 15: 5406-16 (2007)


Article DOI: 10.1016/j.bmc.2007.05.060
BindingDB Entry DOI: 10.7270/Q2T154G7
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50215226
PNG
(11-(4-hexyl-3-hydroxy-phenoxy)-undecanoic acid(3-m...)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCc2ccc(OC)c(O)c2)cc1O
Show InChI InChI=1S/C31H47NO5/c1-3-4-5-12-15-26-18-19-27(23-28(26)33)37-21-14-11-9-7-6-8-10-13-16-31(35)32-24-25-17-20-30(36-2)29(34)22-25/h17-20,22-23,33-34H,3-16,21,24H2,1-2H3,(H,32,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of rat brain FAAH assessed as inhibition of [14C]anandamide hydrolysis


Bioorg Med Chem 15: 5406-16 (2007)


Article DOI: 10.1016/j.bmc.2007.05.060
BindingDB Entry DOI: 10.7270/Q2T154G7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50215226
PNG
(11-(4-hexyl-3-hydroxy-phenoxy)-undecanoic acid(3-m...)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCc2ccc(OC)c(O)c2)cc1O
Show InChI InChI=1S/C31H47NO5/c1-3-4-5-12-15-26-18-19-27(23-28(26)33)37-21-14-11-9-7-6-8-10-13-16-31(35)32-24-25-17-20-30(36-2)29(34)22-25/h17-20,22-23,33-34H,3-16,21,24H2,1-2H3,(H,32,35)
PDB

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Reactome pathway
KEGG

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



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


Bioorg Med Chem 15: 5406-16 (2007)


Article DOI: 10.1016/j.bmc.2007.05.060
BindingDB Entry DOI: 10.7270/Q2T154G7
More data for this
Ligand-Target Pair