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BDBM50215236 11-(4-hexyl-3-hydroxy-phenoxy)-undecanoic acid[2-(3,4-dihydroxy-phenyl)-ethyl]-amide::CHEMBL389252

SMILES: CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCCc2ccc(O)c(O)c2)cc1O

InChI Key: InChIKey=QHJVXQPKZAGEEA-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50215236   
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))
BDBM50215236
PNG
(11-(4-hexyl-3-hydroxy-phenoxy)-undecanoic acid[2-(...)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCCc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C31H47NO5/c1-2-3-4-11-14-26-17-18-27(24-29(26)34)37-22-13-10-8-6-5-7-9-12-15-31(36)32-21-20-25-16-19-28(33)30(35)23-25/h16-19,23-24,33-35H,2-15,20-22H2,1H3,(H,32,36)
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50215236
PNG
(11-(4-hexyl-3-hydroxy-phenoxy)-undecanoic acid[2-(...)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCCc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C31H47NO5/c1-2-3-4-11-14-26-17-18-27(24-29(26)34)37-22-13-10-8-6-5-7-9-12-15-31(36)32-21-20-25-16-19-28(33)30(35)23-25/h16-19,23-24,33-35H,2-15,20-22H2,1H3,(H,32,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 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