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BDBM50215233 11-(4-hexyl-3-hydroxy-phenoxy)-undecanoic acid cyclopropylmethyl-amide::CHEMBL228566

SMILES: CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCC2CC2)cc1O

InChI Key: InChIKey=SXHBRLSHSAJBTD-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50215233   
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))
BDBM50215233
PNG
(11-(4-hexyl-3-hydroxy-phenoxy)-undecanoic acid cyc...)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCC2CC2)cc1O
Show InChI InChI=1S/C27H45NO3/c1-2-3-4-11-14-24-18-19-25(21-26(24)29)31-20-13-10-8-6-5-7-9-12-15-27(30)28-22-23-16-17-23/h18-19,21,23,29H,2-17,20,22H2,1H3,(H,28,30)
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PC cid
PC sid
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Article
PubMed
2.90E+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))
BDBM50215233
PNG
(11-(4-hexyl-3-hydroxy-phenoxy)-undecanoic acid cyc...)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCC2CC2)cc1O
Show InChI InChI=1S/C27H45NO3/c1-2-3-4-11-14-24-18-19-25(21-26(24)29)31-20-13-10-8-6-5-7-9-12-15-27(30)28-22-23-16-17-23/h18-19,21,23,29H,2-17,20,22H2,1H3,(H,28,30)
PDB

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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
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50215233
PNG
(11-(4-hexyl-3-hydroxy-phenoxy)-undecanoic acid cyc...)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCC2CC2)cc1O
Show InChI InChI=1S/C27H45NO3/c1-2-3-4-11-14-24-18-19-25(21-26(24)29)31-20-13-10-8-6-5-7-9-12-15-27(30)28-22-23-16-17-23/h18-19,21,23,29H,2-17,20,22H2,1H3,(H,28,30)
PDB
MMDB

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B.MOAD
GoogleScholar
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CHEMBL
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