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BDBM50267714 CHEMBL491065::N-(cyclopropylmethyl)-11-(3-hydroxy-5-(isopentyloxy)phenoxy)undecanamide

SMILES: CC(C)CCOc1cc(O)cc(OCCCCCCCCCCC(=O)NCC2CC2)c1

InChI Key: InChIKey=VAAMKXQVJXTDRX-UHFFFAOYSA-N

Data: 2 KI

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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 = 50267714   
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))
BDBM50267714
PNG
(CHEMBL491065 | N-(cyclopropylmethyl)-11-(3-hydroxy...)
Show SMILES CC(C)CCOc1cc(O)cc(OCCCCCCCCCCC(=O)NCC2CC2)c1
Show InChI InChI=1S/C26H43NO4/c1-21(2)14-16-31-25-18-23(28)17-24(19-25)30-15-10-8-6-4-3-5-7-9-11-26(29)27-20-22-12-13-22/h17-19,21-22,28H,3-16,20H2,1-2H3,(H,27,29)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB2 receptor expressed in african green monkey COS cells by radioligand binding assay


J Med Chem 52: 2506-14 (2009)


Article DOI: 10.1021/jm8016255
BindingDB Entry DOI: 10.7270/Q2X34XCN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50267714
PNG
(CHEMBL491065 | N-(cyclopropylmethyl)-11-(3-hydroxy...)
Show SMILES CC(C)CCOc1cc(O)cc(OCCCCCCCCCCC(=O)NCC2CC2)c1
Show InChI InChI=1S/C26H43NO4/c1-21(2)14-16-31-25-18-23(28)17-24(19-25)30-15-10-8-6-4-3-5-7-9-11-26(29)27-20-22-12-13-22/h17-19,21-22,28H,3-16,20H2,1-2H3,(H,27,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor expressed in african green monkey COS cells by radioligand binding assay


J Med Chem 52: 2506-14 (2009)


Article DOI: 10.1021/jm8016255
BindingDB Entry DOI: 10.7270/Q2X34XCN
More data for this
Ligand-Target Pair