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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 361.5
BDBM50392473

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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)


(Homo sapiens (Human))
BDBM50392473
PNG
(CHEMBL429926)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](C)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-16-19-22(25)24-20(2)23(26)21-17-14-13-15-18-21/h13-15,17-18,20,23,26H,3-12,16,19H2,1-2H3,(H,24,25)/t20-,23-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Humboldt Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of aCDase expressed in human HL60 cell extract


Bioorg Med Chem 20: 6162-70 (2012)


Article DOI: 10.1016/j.bmc.2012.08.031
BindingDB Entry DOI: 10.7270/Q29Z960Z
More data for this
Ligand-Target Pair
Alkaline ceramidase 2


(Homo sapiens)
BDBM50392473
PNG
(CHEMBL429926)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](C)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-16-19-22(25)24-20(2)23(26)21-17-14-13-15-18-21/h13-15,17-18,20,23,26H,3-12,16,19H2,1-2H3,(H,24,25)/t20-,23-/m1/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Humboldt Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of alkaline ceramidase 2 in human HL-60 cells using 3H]C16-ceramide as substrate after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem 21: 874-82 (2013)


Article DOI: 10.1016/j.bmc.2012.12.014
BindingDB Entry DOI: 10.7270/Q29Z9673
More data for this
Ligand-Target Pair