BindingDB logo
myBDB logout

BDBM50392471 CHEMBL2152040

SMILES: CCCCCCCCCCCCS(=O)(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=NFKQILDBHDOUPO-NHCUHLMSSA-N

Data: 1 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 1 hit for monomerid = 50392471   
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
Neutral ceramidase


(Homo sapiens)
BDBM50392471
PNG
(CHEMBL2152040)
Show SMILES CCCCCCCCCCCCS(=O)(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H36N2O6S/c1-2-3-4-5-6-7-8-9-10-11-16-30(28,29)22-20(17-24)21(25)18-12-14-19(15-13-18)23(26)27/h12-15,20-22,24-25H,2-11,16-17H2,1H3/t20-,21-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40E+4n/an/an/an/an/an/a



Humboldt Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of recombinant human nCDase expressed in Sf9 cells using fluorescently-labeled acyl-NBD-C12-ceramide as substrate after 2 hrs by fluoresce...


Bioorg Med Chem 20: 6162-70 (2012)

More data for this
Ligand-Target Pair