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BDBM50032451 CHEMBL3354150

SMILES: CCCCc1ccc(COC(=O)N[C@@H]2[C@H](C)OC2=O)cc1

InChI Key: InChIKey=RPWKNJCPMJBHAS-SMDDNHRTSA-N

Data: 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 2 hits for monomerid = 50032451   
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
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50032451
PNG
(CHEMBL3354150)
Show SMILES CCCCc1ccc(COC(=O)N[C@@H]2[C@H](C)OC2=O)cc1 |r|
Show InChI InChI=1S/C16H21NO4/c1-3-4-5-12-6-8-13(9-7-12)10-20-16(19)17-14-11(2)21-15(14)18/h6-9,11,14H,3-5,10H2,1-2H3,(H,17,19)/t11-,14+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolysis of 10-cis-heptadecenoylethanolamide by UPLC/MS method


J Med Chem 57: 10101-11 (2014)


Article DOI: 10.1021/jm501455s
BindingDB Entry DOI: 10.7270/Q26111W8
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50032451
PNG
(CHEMBL3354150)
Show SMILES CCCCc1ccc(COC(=O)N[C@@H]2[C@H](C)OC2=O)cc1 |r|
Show InChI InChI=1S/C16H21NO4/c1-3-4-5-12-6-8-13(9-7-12)10-20-16(19)17-14-11(2)21-15(14)18/h6-9,11,14H,3-5,10H2,1-2H3,(H,17,19)/t11-,14+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolysis of 10-cis-heptadecenoylethanolamide by UPLC/MS method


J Med Chem 57: 10101-11 (2014)


Article DOI: 10.1021/jm501455s
BindingDB Entry DOI: 10.7270/Q26111W8
More data for this
Ligand-Target Pair