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9 similar compounds to monomer 50431273

Compile data set for download or QSAR
Wt: 281.3
BDBM50431245
Wt: 335.3
BDBM50431246
Wt: 267.3
BDBM50431247
Wt: 253.2
BDBM50431249
Wt: 225.2
BDBM50431250
Wt: 269.2
BDBM50431269
Wt: 267.3
BDBM50431270
Wt: 307.2
BDBM50431271
Wt: 239.2
BDBM50431274

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50431245,50431246,50431247,50431249,50431250,50431269,50431270,50431271,50431274   
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))
BDBM50431271
PNG
(CHEMBL2333033 | US9428465, 4)
Show SMILES CCCCCCNC(=O)n1cc(c(=O)[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C12H16F3N3O3/c1-2-3-4-5-6-16-10(20)18-7-8(12(13,14)15)9(19)17-11(18)21/h7H,2-6H2,1H3,(H,16,20)(H,17,19,21)
PDB

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US Patent
n/an/a 10n/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))
BDBM50431269
PNG
(CHEMBL2333035 | US9428465, 7)
Show SMILES CCCCCCNC(=O)n1cc(CO)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O4/c1-2-3-4-5-6-13-11(18)15-7-9(8-16)10(17)14-12(15)19/h7,16H,2-6,8H2,1H3,(H,13,18)(H,14,17,19)
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 420n/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))
BDBM50431246
PNG
(CHEMBL2333062 | US9428465, 32)
Show SMILES CCCCCCCCNC(=O)n1cc(c(=O)[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C14H20F3N3O3/c1-2-3-4-5-6-7-8-18-12(22)20-9-10(14(15,16)17)11(21)19-13(20)23/h9H,2-8H2,1H3,(H,18,22)(H,19,21,23)
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 7n/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))
BDBM50431245
PNG
(CHEMBL2333063)
Show SMILES CCCCCCCCCNC(=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C14H23N3O3/c1-2-3-4-5-6-7-8-10-15-13(19)17-11-9-12(18)16-14(17)20/h9,11H,2-8,10H2,1H3,(H,15,19)(H,16,18,20)
PDB

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Article
PubMed
n/an/a 464n/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))
BDBM50431246
PNG
(CHEMBL2333062 | US9428465, 32)
Show SMILES CCCCCCCCNC(=O)n1cc(c(=O)[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C14H20F3N3O3/c1-2-3-4-5-6-7-8-18-12(22)20-9-10(14(15,16)17)11(21)19-13(20)23/h9H,2-8H2,1H3,(H,18,22)(H,19,21,23)
PDB

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Article
PubMed
n/an/a 7n/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))
BDBM50431274
PNG
(CHEMBL2333065)
Show SMILES CCCCCCNC(=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N3O3/c1-2-3-4-5-7-12-10(16)14-8-6-9(15)13-11(14)17/h6,8H,2-5,7H2,1H3,(H,12,16)(H,13,15,17)
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Article
PubMed
n/an/a 426n/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))
BDBM50431249
PNG
(CHEMBL2333059)
Show SMILES CCCCCCCNC(=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O3/c1-2-3-4-5-6-8-13-11(17)15-9-7-10(16)14-12(15)18/h7,9H,2-6,8H2,1H3,(H,13,17)(H,14,16,18)
PDB

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PubMed
n/an/a 325n/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))
BDBM50431250
PNG
(CHEMBL2333058)
Show SMILES CCCCCNC(=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N3O3/c1-2-3-4-6-11-9(15)13-7-5-8(14)12-10(13)16/h5,7H,2-4,6H2,1H3,(H,11,15)(H,12,14,16)
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PubMed
n/an/a 2.10E+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))
BDBM50431269
PNG
(CHEMBL2333035 | US9428465, 7)
Show SMILES CCCCCCNC(=O)n1cc(CO)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O4/c1-2-3-4-5-6-13-11(18)15-7-9(8-16)10(17)14-12(15)19/h7,16H,2-6,8H2,1H3,(H,13,18)(H,14,17,19)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 417n/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))
BDBM50431270
PNG
(CHEMBL2333034)
Show SMILES CCCCCCNC(=O)n1cc(CC)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H21N3O3/c1-3-5-6-7-8-14-12(18)16-9-10(4-2)11(17)15-13(16)19/h9H,3-8H2,1-2H3,(H,14,18)(H,15,17,19)
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 733n/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))
BDBM50431271
PNG
(CHEMBL2333033 | US9428465, 4)
Show SMILES CCCCCCNC(=O)n1cc(c(=O)[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C12H16F3N3O3/c1-2-3-4-5-6-16-10(20)18-7-8(12(13,14)15)9(19)17-11(18)21/h7H,2-6H2,1H3,(H,16,20)(H,17,19,21)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/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))
BDBM50431247
PNG
(CHEMBL2333061)
Show SMILES CCCCCCCCNC(=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C13H21N3O3/c1-2-3-4-5-6-7-9-14-12(18)16-10-8-11(17)15-13(16)19/h8,10H,2-7,9H2,1H3,(H,14,18)(H,15,17,19)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 283n/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