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BDBM50274020 CHEMBL514886::N-Formyl-beta-alanine-(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)CCNC=O

InChI Key: InChIKey=ONLDPEQPGSFLOQ-HJOGWXRNSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50274020   
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))
BDBM50274020
PNG
(CHEMBL514886 | N-Formyl-beta-alanine-(1S)-1-[[(2S,...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CCNC=O |r|
Show InChI InChI=1S/C26H47NO5/c1-3-5-7-9-10-11-12-13-14-16-22(31-25(29)18-19-27-21-28)20-24-23(26(30)32-24)17-15-8-6-4-2/h21-24H,3-20H2,1-2H3,(H,27,28)/t22-,23-,24-/m0/s1
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Article
PubMed
1.90E+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))
BDBM50274020
PNG
(CHEMBL514886 | N-Formyl-beta-alanine-(1S)-1-[[(2S,...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CCNC=O |r|
Show InChI InChI=1S/C26H47NO5/c1-3-5-7-9-10-11-12-13-14-16-22(31-25(29)18-19-27-21-28)20-24-23(26(30)32-24)17-15-8-6-4-2/h21-24H,3-20H2,1-2H3,(H,27,28)/t22-,23-,24-/m0/s1
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Article
PubMed
6.40E+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 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))
BDBM50274020
PNG
(CHEMBL514886 | N-Formyl-beta-alanine-(1S)-1-[[(2S,...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CCNC=O |r|
Show InChI InChI=1S/C26H47NO5/c1-3-5-7-9-10-11-12-13-14-16-22(31-25(29)18-19-27-21-28)20-24-23(26(30)32-24)17-15-8-6-4-2/h21-24H,3-20H2,1-2H3,(H,27,28)/t22-,23-,24-/m0/s1
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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))
BDBM50274020
PNG
(CHEMBL514886 | N-Formyl-beta-alanine-(1S)-1-[[(2S,...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CCNC=O |r|
Show InChI InChI=1S/C26H47NO5/c1-3-5-7-9-10-11-12-13-14-16-22(31-25(29)18-19-27-21-28)20-24-23(26(30)32-24)17-15-8-6-4-2/h21-24H,3-20H2,1-2H3,(H,27,28)/t22-,23-,24-/m0/s1
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PubMed
n/an/a 600n/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