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BDBM50032463 CHEMBL3353547::US9353075, 19

SMILES: C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1

InChI Key: InChIKey=QEPPAKHKNZHDCV-WCQYABFASA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50032463   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50032463
PNG
(CHEMBL3353547 | US9353075, 19)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1
Show InChI InChI=1S/C15H25NO4/c1-11-13(14(17)20-11)16-15(18)19-10-6-5-9-12-7-3-2-4-8-12/h11-13H,2-10H2,1H3,(H,16,18)/t11-,13+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 20n/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 acid amidase (NAAA)


(Homo sapiens (Human))
BDBM50032463
PNG
(CHEMBL3353547 | US9353075, 19)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1
Show InChI InChI=1S/C15H25NO4/c1-11-13(14(17)20-11)16-15(18)19-10-6-5-9-12-7-3-2-4-8-12/h11-13H,2-10H2,1H3,(H,16,18)/t11-,13+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9n/an/an/an/a4.537



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
NAAA protein preparation (10 ug) was pre-incubated with various concentrations of test compound or vehicle control in 100 mM NaH2PO4, 100 mM Tri Sodi...


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))
BDBM50032463
PNG
(CHEMBL3353547 | US9353075, 19)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1
Show InChI InChI=1S/C15H25NO4/c1-11-13(14(17)20-11)16-15(18)19-10-6-5-9-12-7-3-2-4-8-12/h11-13H,2-10H2,1H3,(H,16,18)/t11-,13+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/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))
BDBM50032463
PNG
(CHEMBL3353547 | US9353075, 19)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1
Show InChI InChI=1S/C15H25NO4/c1-11-13(14(17)20-11)16-15(18)19-10-6-5-9-12-7-3-2-4-8-12/h11-13H,2-10H2,1H3,(H,16,18)/t11-,13+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/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 acid amidase (NAAA)


(Homo sapiens (Human))
BDBM50032463
PNG
(CHEMBL3353547 | US9353075, 19)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1
Show InChI InChI=1S/C15H25NO4/c1-11-13(14(17)20-11)16-15(18)19-10-6-5-9-12-7-3-2-4-8-12/h11-13H,2-10H2,1H3,(H,16,18)/t11-,13+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8n/an/an/an/a4.5n/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
The assay was run in Optiplate 96-wells black plates, in a total reaction volume of 200 μL. NAAA protein preparation (4.0 μg) was pre-incub...


US Patent US9353075 (2016)


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