BindingDB logo
myBDB logout

BDBM367210 2-oxo-7-phenyl-N-(4- phenylbutyl)-1,3- benzoxazole-3-carboxamide::US10226452, Example 27

SMILES: O=C(NCCCCc1ccccc1)n1c2cccc(-c3ccccc3)c2oc1=O

InChI Key: InChIKey=UAGLATGVJCLIQU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 367210   
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
Acid ceramidase


(Homo sapiens (Human))
BDBM367210
PNG
(2-oxo-7-phenyl-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES O=C(NCCCCc1ccccc1)n1c2cccc(-c3ccccc3)c2oc1=O
Show InChI InChI=1S/C24H22N2O3/c27-23(25-17-8-7-12-18-10-3-1-4-11-18)26-21-16-9-15-20(22(21)29-24(26)28)19-13-5-2-6-14-19/h1-6,9-11,13-16H,7-8,12,17H2,(H,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 91n/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))
BDBM367210
PNG
(2-oxo-7-phenyl-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES O=C(NCCCCc1ccccc1)n1c2cccc(-c3ccccc3)c2oc1=O
Show InChI InChI=1S/C24H22N2O3/c27-23(25-17-8-7-12-18-10-3-1-4-11-18)26-21-16-9-15-20(22(21)29-24(26)28)19-13-5-2-6-14-19/h1-6,9-11,13-16H,7-8,12,17H2,(H,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 91n/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