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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acid ceramidase (AC)' and Ligand = 'BDBM50431272'   
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
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431272
PNG
(CHEMBL2333032 | US9428465, 3)
Show SMILES CCCCCCNC(=O)n1cc(Cl)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16ClN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
BindingDB Entry DOI: 10.7270/Q27D2WH5
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431272
PNG
(CHEMBL2333032 | US9428465, 3)
Show SMILES CCCCCCNC(=O)n1cc(Cl)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16ClN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 67n/an/an/an/a4.5n/a



Fondazione Istituto Italiano Di Technologia

US Patent


Assay Description
r-AC protein samples were pre-incubated with various concentrations of test compounds or vehicle control in 100 mM NaH2PO4/citrate buffer pH 4.5, 0.1...


US Patent US9428465 (2016)


BindingDB Entry DOI: 10.7270/Q26972GB
More data for this
Ligand-Target Pair