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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'N-acylethanolamine-hydrolyzing acid amidase (NAAA)' and Ligand = 'BDBM50032446'   
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 (NAAA)


(Rattus norvegicus (Rat))
BDBM50032446
PNG
(CHEMBL3353542 | US9353075, 15)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccc(F)cc1
Show InChI InChI=1S/C16H20FNO4/c1-11-14(15(19)22-11)18-16(20)21-10-4-2-3-5-12-6-8-13(17)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,18,20)/t11-,14+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 240n/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
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50032446
PNG
(CHEMBL3353542 | US9353075, 15)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccc(F)cc1
Show InChI InChI=1S/C16H20FNO4/c1-11-14(15(19)22-11)18-16(20)21-10-4-2-3-5-12-6-8-13(17)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,18,20)/t11-,14+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/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))
BDBM50032446
PNG
(CHEMBL3353542 | US9353075, 15)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccc(F)cc1
Show InChI InChI=1S/C16H20FNO4/c1-11-14(15(19)22-11)18-16(20)21-10-4-2-3-5-12-6-8-13(17)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,18,20)/t11-,14+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/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