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BDBM50176948 6-(3-hydroxy-5-pentylphenoxy)hexanoic acid cyclopropylamide::CHEMBL224105

SMILES: CCCCCc1cc(O)cc(OCCCCCC(=O)NC2CC2)c1

InChI Key: InChIKey=HBILZCDAOBDBDT-UHFFFAOYSA-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 = 50176948   
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))
BDBM50176948
PNG
(6-(3-hydroxy-5-pentylphenoxy)hexanoic acid cyclopr...)
Show SMILES CCCCCc1cc(O)cc(OCCCCCC(=O)NC2CC2)c1
Show InChI InChI=1S/C20H31NO3/c1-2-3-5-8-16-13-18(22)15-19(14-16)24-12-7-4-6-9-20(23)21-17-10-11-17/h13-15,17,22H,2-12H2,1H3,(H,21,23)
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
960n/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 COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
BindingDB Entry DOI: 10.7270/Q2FX7B7W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176948
PNG
(6-(3-hydroxy-5-pentylphenoxy)hexanoic acid cyclopr...)
Show SMILES CCCCCc1cc(O)cc(OCCCCCC(=O)NC2CC2)c1
Show InChI InChI=1S/C20H31NO3/c1-2-3-5-8-16-13-18(22)15-19(14-16)24-12-7-4-6-9-20(23)21-17-10-11-17/h13-15,17,22H,2-12H2,1H3,(H,21,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+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 COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
BindingDB Entry DOI: 10.7270/Q2FX7B7W
More data for this
Ligand-Target Pair