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BDBM50117178 1N-[2-hydroxy-1-methyl-(1R)-ethyl]-2-methyl-(2S,5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenamide::CHEMBL333097

SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CC[C@H](C)C(=O)N[C@H](C)CO

InChI Key: InChIKey=VFDSCNHSAXUNJQ-SKCJVYAUSA-N

Data: 1 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 1 hit for monomerid = 50117178   
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))
BDBM50117178
PNG
(1N-[2-hydroxy-1-methyl-(1R)-ethyl]-2-methyl-(2S,5Z...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CC[C@H](C)C(=O)N[C@H](C)CO
Show InChI InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)24(27)25-23(3)21-26/h8-9,11-12,14-15,17-18,22-23,26H,4-7,10,13,16,19-21H2,1-3H3,(H,25,27)/b9-8-,12-11-,15-14-,18-17-/t22-,23+/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
185n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor]


J Med Chem 45: 3649-59 (2002)


BindingDB Entry DOI: 10.7270/Q2DB815G
More data for this
Ligand-Target Pair