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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 = 'BDBM393394'   
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


(Homo sapiens (Human))
BDBM393394
PNG
(US9963444, Example 95)
Show SMILES COc1cccc(c1)-c1ccc(COC2(C)CN(C2)C#N)cc1
Show InChI InChI=1S/C19H20N2O2/c1-19(12-21(13-19)14-20)23-11-15-6-8-16(9-7-15)17-4-3-5-18(10-17)22-2/h3-10H,11-13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393394
PNG
(US9963444, Example 95)
Show SMILES COc1cccc(c1)-c1ccc(COC2(C)CN(C2)C#N)cc1
Show InChI InChI=1S/C19H20N2O2/c1-19(12-21(13-19)14-20)23-11-15-6-8-16(9-7-15)17-4-3-5-18(10-17)22-2/h3-10H,11-13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


Chem Biol Drug Des 71: 131-9 (2008)


BindingDB Entry DOI: 10.7270/Q2639S2B
More data for this
Ligand-Target Pair