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BDBM50221708 11-[4-(1,1-dimethylheptyl)phenoxy]undeca-5,8-dienoic acid [R(1-hydroxypropan-2-yl)]-amide::CHEMBL240100

SMILES: CCCCCCC(C)(C)c1ccc(OCC\C=C/C\C=C/CCCC(=O)N[C@H](C)CO)cc1

InChI Key: InChIKey=UNDUGXOFFFAITG-IGNCQIMGSA-N

Data: 2 KI

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 2 hits for monomerid = 50221708   
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))
BDBM50221708
PNG
(11-[4-(1,1-dimethylheptyl)phenoxy]undeca-5,8-dieno...)
Show SMILES CCCCCCC(C)(C)c1ccc(OCC\C=C/C\C=C/CCCC(=O)N[C@H](C)CO)cc1
Show InChI InChI=1S/C29H47NO3/c1-5-6-7-15-22-29(3,4)26-18-20-27(21-19-26)33-23-16-13-11-9-8-10-12-14-17-28(32)30-25(2)24-31/h8,10-11,13,18-21,25,31H,5-7,9,12,14-17,22-24H2,1-4H3,(H,30,32)/b10-8-,13-11-/t25-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
78.2n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
BindingDB Entry DOI: 10.7270/Q2348K3B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50221708
PNG
(11-[4-(1,1-dimethylheptyl)phenoxy]undeca-5,8-dieno...)
Show SMILES CCCCCCC(C)(C)c1ccc(OCC\C=C/C\C=C/CCCC(=O)N[C@H](C)CO)cc1
Show InChI InChI=1S/C29H47NO3/c1-5-6-7-15-22-29(3,4)26-18-20-27(21-19-26)33-23-16-13-11-9-8-10-12-14-17-28(32)30-25(2)24-31/h8,10-11,13,18-21,25,31H,5-7,9,12,14-17,22-24H2,1-4H3,(H,30,32)/b10-8-,13-11-/t25-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
195n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
BindingDB Entry DOI: 10.7270/Q2348K3B
More data for this
Ligand-Target Pair