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BDBM50151154 CHEMBL3770896

SMILES: CCCCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1

InChI Key: InChIKey=YMCWHDFPVFAVEE-ZDUSSCGKSA-N

Data: 3 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 3 hits for monomerid = 50151154   
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


(Homo sapiens (Human))
BDBM50151154
PNG
(CHEMBL3770896)
Show SMILES CCCCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1 |r|
Show InChI InChI=1S/C15H20N2O3/c1-2-3-4-11-5-7-12(8-6-11)10-20-15(19)17-13-9-16-14(13)18/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)(H,17,19)/t13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 23n/an/an/an/an/an/a



Italian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins followed by N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide substrate addi...


Eur J Med Chem 111: 138-59 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ70MX
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50151154
PNG
(CHEMBL3770896)
Show SMILES CCCCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1 |r|
Show InChI InChI=1S/C15H20N2O3/c1-2-3-4-11-5-7-12(8-6-11)10-20-15(19)17-13-9-16-14(13)18/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)(H,17,19)/t13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7n/an/an/an/an/an/a



Italian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NAAA expressed in HEK293 cells after 30 mins by UPLC/MS analysis


Eur J Med Chem 111: 138-59 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ70MX
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Homo sapiens (Human))
BDBM50151154
PNG
(CHEMBL3770896)
Show SMILES CCCCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1 |r|
Show InChI InChI=1S/C15H20N2O3/c1-2-3-4-11-5-7-12(8-6-11)10-20-15(19)17-13-9-16-14(13)18/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)(H,17,19)/t13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 390n/an/an/an/an/an/a



Italian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human acid ceramidase by UPLC/MS analysis


Eur J Med Chem 111: 138-59 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ70MX
More data for this
Ligand-Target Pair