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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acid ceramidase' and Ligand = 'BDBM367204'   
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))		BDBM367204
PNG
(5-(4-fluorophenyl)-2-oxo-N- (4-phenylbutyl)-1,3- b...)
Show SMILES Fc1ccc(cc1)-c1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C24H21FN2O3/c25-20-12-9-18(10-13-20)19-11-14-22-21(16-19)27(24(29)30-22)23(28)26-15-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-14,16H,4-5,8,15H2,(H,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 56n/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))		BDBM367204
PNG
(5-(4-fluorophenyl)-2-oxo-N- (4-phenylbutyl)-1,3- b...)
Show SMILES Fc1ccc(cc1)-c1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C24H21FN2O3/c25-20-12-9-18(10-13-20)19-11-14-22-21(16-19)27(24(29)30-22)23(28)26-15-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-14,16H,4-5,8,15H2,(H,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 56n/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