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3 similar compounds to monomer 50431261

Compile data set for download or QSAR
Wt: 337.4
BDBM50431265
Wt: 324.3
BDBM50431266
Wt: 358.4
BDBM50431267

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50431265,50431266,50431267   
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 (AC)


(Rattus norvegicus (Rat))
BDBM50431267
PNG
(CHEMBL2333037 | US9428465, 10)
Show SMILES CCCCCCNC(=O)n1cc(N(C)Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H26N4O3/c1-3-4-5-9-12-20-18(25)23-14-16(17(24)21-19(23)26)22(2)13-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,20,25)(H,21,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.50E+3n/an/an/an/a4.5n/a



Fondazione Istituto Italiano Di Technologia

US Patent


Assay Description
r-AC protein samples were pre-incubated with various concentrations of test compounds or vehicle control in 100 mM NaH2PO4/citrate buffer pH 4.5, 0.1...


US Patent US9428465 (2016)


BindingDB Entry DOI: 10.7270/Q26972GB
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431266
PNG
(CHEMBL2333038 | US9428465, 12)
Show SMILES CCCCCCNC(=O)n1cc(N2CCOCC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H24N4O4/c1-2-3-4-5-6-16-14(21)19-11-12(13(20)17-15(19)22)18-7-9-23-10-8-18/h11H,2-10H2,1H3,(H,16,21)(H,17,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 880n/an/an/an/a4.5n/a



Fondazione Istituto Italiano Di Technologia

US Patent


Assay Description
r-AC protein samples were pre-incubated with various concentrations of test compounds or vehicle control in 100 mM NaH2PO4/citrate buffer pH 4.5, 0.1...


US Patent US9428465 (2016)


BindingDB Entry DOI: 10.7270/Q26972GB
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431267
PNG
(CHEMBL2333037 | US9428465, 10)
Show SMILES CCCCCCNC(=O)n1cc(N(C)Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H26N4O3/c1-3-4-5-9-12-20-18(25)23-14-16(17(24)21-19(23)26)22(2)13-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,20,25)(H,21,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
BindingDB Entry DOI: 10.7270/Q27D2WH5
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431265
PNG
(CHEMBL2333039 | US9428465, 13)
Show SMILES CCCCCCNC(=O)n1cc(N2CCN(C)CC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H27N5O3/c1-3-4-5-6-7-17-15(23)21-12-13(14(22)18-16(21)24)20-10-8-19(2)9-11-20/h12H,3-11H2,1-2H3,(H,17,23)(H,18,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
BindingDB Entry DOI: 10.7270/Q27D2WH5
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431266
PNG
(CHEMBL2333038 | US9428465, 12)
Show SMILES CCCCCCNC(=O)n1cc(N2CCOCC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H24N4O4/c1-2-3-4-5-6-16-14(21)19-11-12(13(20)17-15(19)22)18-7-9-23-10-8-18/h11H,2-10H2,1H3,(H,16,21)(H,17,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 875n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
BindingDB Entry DOI: 10.7270/Q27D2WH5
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431265
PNG
(CHEMBL2333039 | US9428465, 13)
Show SMILES CCCCCCNC(=O)n1cc(N2CCN(C)CC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H27N5O3/c1-3-4-5-6-7-17-15(23)21-12-13(14(22)18-16(21)24)20-10-8-19(2)9-11-20/h12H,3-11H2,1-2H3,(H,17,23)(H,18,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.40E+3n/an/an/an/a4.5n/a



Fondazione Istituto Italiano Di Technologia

US Patent


Assay Description
r-AC protein samples were pre-incubated with various concentrations of test compounds or vehicle control in 100 mM NaH2PO4/citrate buffer pH 4.5, 0.1...


US Patent US9428465 (2016)


BindingDB Entry DOI: 10.7270/Q26972GB
More data for this
Ligand-Target Pair