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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' and Ligand = 'BDBM430301'   
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))
BDBM430301
PNG
(US10556892, Compound 41)
Show SMILES CCCS(=O)(=O)c1ccccc1C(=O)N1CCN(C[C@@H]1C)c1nc2ccc(F)cc2s1 |r|
Show InChI InChI=1S/C22H24FN3O3S2/c1-3-12-31(28,29)20-7-5-4-6-17(20)21(27)26-11-10-25(14-15(26)2)22-24-18-9-8-16(23)13-19(18)30-22/h4-9,13,15H,3,10-12,14H2,1-2H3/t15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 177n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Technologia

US Patent


Assay Description
HEK293 cells stably transfected with the human NAAA coding sequence cloned from a human spleen cDNA library (catalog no. 639124, Clontech, Mountain V...


US Patent US10556892 (2020)


BindingDB Entry DOI: 10.7270/Q2V40XM0
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM430301
PNG
(US10556892, Compound 41)
Show SMILES CCCS(=O)(=O)c1ccccc1C(=O)N1CCN(C[C@@H]1C)c1nc2ccc(F)cc2s1 |r|
Show InChI InChI=1S/C22H24FN3O3S2/c1-3-12-31(28,29)20-7-5-4-6-17(20)21(27)26-11-10-25(14-15(26)2)22-24-18-9-8-16(23)13-19(18)30-22/h4-9,13,15H,3,10-12,14H2,1-2H3/t15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Technologia

US Patent


Assay Description
HEK293 cells stably transfected with the human NAAA coding sequence cloned from a human spleen cDNA library (catalog no. 639124, Clontech, Mountain V...


US Patent US10556892 (2020)


BindingDB Entry DOI: 10.7270/Q2V40XM0
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM430301
PNG
(US10556892, Compound 41)
Show SMILES CCCS(=O)(=O)c1ccccc1C(=O)N1CCN(C[C@@H]1C)c1nc2ccc(F)cc2s1 |r|
Show InChI InChI=1S/C22H24FN3O3S2/c1-3-12-31(28,29)20-7-5-4-6-17(20)21(27)26-11-10-25(14-15(26)2)22-24-18-9-8-16(23)13-19(18)30-22/h4-9,13,15H,3,10-12,14H2,1-2H3/t15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NAAA (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00076
BindingDB Entry DOI: 10.7270/Q2C25175
More data for this
Ligand-Target Pair