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BDBM50274056 CHEMBL521467::N-Acetyl-L-valine-(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl Ester

SMILES: CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC(C)=O)C(C)C

InChI Key: InChIKey=NRWCYEVIDSSFKZ-FWEHEUNISA-N

Data: 2 KI  2 IC50

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 4 hits for monomerid = 50274056   
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))
BDBM50274056
PNG
(CHEMBL521467 | N-Acetyl-L-valine-(1S)-1-[[(2S,3S)-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC(C)=O)C(C)C |r|
Show InChI InChI=1S/C29H53NO5/c1-6-8-10-12-13-14-15-16-17-19-24(34-29(33)27(22(3)4)30-23(5)31)21-26-25(28(32)35-26)20-18-11-9-7-2/h22,24-27H,6-21H2,1-5H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.40E+3n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50274056
PNG
(CHEMBL521467 | N-Acetyl-L-valine-(1S)-1-[[(2S,3S)-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC(C)=O)C(C)C |r|
Show InChI InChI=1S/C29H53NO5/c1-6-8-10-12-13-14-15-16-17-19-24(34-29(33)27(22(3)4)30-23(5)31)21-26-25(28(32)35-26)20-18-11-9-7-2/h22,24-27H,6-21H2,1-5H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50274056
PNG
(CHEMBL521467 | N-Acetyl-L-valine-(1S)-1-[[(2S,3S)-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC(C)=O)C(C)C |r|
Show InChI InChI=1S/C29H53NO5/c1-6-8-10-12-13-14-15-16-17-19-24(34-29(33)27(22(3)4)30-23(5)31)21-26-25(28(32)35-26)20-18-11-9-7-2/h22,24-27H,6-21H2,1-5H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [14C]anadamide hydrolysis in rat brain membrane


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50274056
PNG
(CHEMBL521467 | N-Acetyl-L-valine-(1S)-1-[[(2S,3S)-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC(C)=O)C(C)C |r|
Show InChI InChI=1S/C29H53NO5/c1-6-8-10-12-13-14-15-16-17-19-24(34-29(33)27(22(3)4)30-23(5)31)21-26-25(28(32)35-26)20-18-11-9-7-2/h22,24-27H,6-21H2,1-5H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
NCI pathway
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PC sid
UniChem
Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAGLalpha-mediated sn-1-[14C]oleoyl-2-arachidonoyl-glycerol hydrolysis to 2-AG overexpressed in african green monkey ...


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair