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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'N-acylethanolamine-hydrolyzing acid amidase' and Ligand = 'BDBM50032449'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50032449
PNG
(CHEMBL3354152)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)-c1sccc1Br |r|
Show InChI InChI=1S/C16H14BrNO4S/c1-9-13(15(19)22-9)18-16(20)21-8-10-2-4-11(5-3-10)14-12(17)6-7-23-14/h2-7,9,13H,8H2,1H3,(H,18,20)/t9-,13+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/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


(Rattus norvegicus (Rat))
BDBM50032449
PNG
(CHEMBL3354152)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)-c1sccc1Br |r|
Show InChI InChI=1S/C16H14BrNO4S/c1-9-13(15(19)22-9)18-16(20)21-8-10-2-4-11(5-3-10)14-12(17)6-7-23-14/h2-7,9,13H,8H2,1H3,(H,18,20)/t9-,13+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/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