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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acid ceramidase' and Ligand = 'BDBM367220'   
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


(Homo sapiens (Human))		BDBM367220
PNG
(2-oxo-N-[4-(2-thienyl)butyl]- 1,3-benzoxazole-3- c...)
Show SMILES O=C(NCCCCc1cccs1)n1c2ccccc2oc1=O
Show InChI InChI=1S/C16H16N2O3S/c19-15(17-10-4-3-6-12-7-5-11-22-12)18-13-8-1-2-9-14(13)21-16(18)20/h1-2,5,7-9,11H,3-4,6,10H2,(H,17,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367220
PNG
(2-oxo-N-[4-(2-thienyl)butyl]- 1,3-benzoxazole-3- c...)
Show SMILES O=C(NCCCCc1cccs1)n1c2ccccc2oc1=O
Show InChI InChI=1S/C16H16N2O3S/c19-15(17-10-4-3-6-12-7-5-11-22-12)18-13-8-1-2-9-14(13)21-16(18)20/h1-2,5,7-9,11H,3-4,6,10H2,(H,17,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 99n/an/an/an/an/an/a



Biogen Idec



Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...

J Med Chem 50: 2767-78 (2007)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair