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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'N-acylethanolamine-hydrolyzing acid amidase' and Ligand = 'BDBM50439661'   
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))
BDBM50439661
PNG
(CHEMBL2419822 | US9353075, 5)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCc1ccccc1 |r|
Show InChI InChI=1S/C15H19NO4/c1-11-13(14(17)20-11)16-15(18)19-10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,16,18)/t11-,13+/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 389n/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))
BDBM50439661
PNG
(CHEMBL2419822 | US9353075, 5)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCc1ccccc1 |r|
Show InChI InChI=1S/C15H19NO4/c1-11-13(14(17)20-11)16-15(18)19-10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,16,18)/t11-,13+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Sprague Dawley rat lung native NAAA enzyme using heptadecenoylethanolamide as substrate preincubated for 30 mins followed by substrate ...


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50439661
PNG
(CHEMBL2419822 | US9353075, 5)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCc1ccccc1 |r|
Show InChI InChI=1S/C15H19NO4/c1-11-13(14(17)20-11)16-15(18)19-10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,16,18)/t11-,13+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 390n/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))
BDBM50439661
PNG
(CHEMBL2419822 | US9353075, 5)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCc1ccccc1 |r|
Show InChI InChI=1S/C15H19NO4/c1-11-13(14(17)20-11)16-15(18)19-10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,16,18)/t11-,13+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 390n/an/an/an/a7.4n/a



The Regents of the University of California; Fondazione Istituto Italiano Di Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

US Patent


Assay Description
Lysosomal NAAA protein preparation were obtained by homogenizing male Sprague-Dawley rat lungs (Charles River) in 20 mM Tris-HCl buffer pH 7.4 contai...


US Patent US9353075 (2016)


BindingDB Entry DOI: 10.7270/Q23N229Q
More data for this
Ligand-Target Pair