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Patent code US9428465

Compile Data Set for Download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
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


(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)
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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


(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)
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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


(Homo sapiens (Human))		BDBM241946
PNG
(US9428465, 24)
Show SMILES CCCCCCNC(=O)n1cc(Br)c(=O)n(C(=O)OCC(C)C)c1=O
Show InChI InChI=1S/C16H24BrN3O5/c1-4-5-6-7-8-18-14(22)19-9-12(17)13(21)20(15(19)23)16(24)25-10-11(2)3/h9,11H,4-8,10H2,1-3H3,(H,18,22)
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n/an/a 14n/an/an/an/a4.5n/a



Fondazione Istituto Italiano Di Technologia

US Patent


Assay Description
A hAC protein preparation (10 μg) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 0.1% ...

US Patent US9428465 (2016)


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


(Homo sapiens (Human))		BDBM50431262
PNG
(CHEMBL2333042 | US9428465, 5)
Show SMILES CCCCCCNC(=O)n1cc(Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16BrN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
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n/an/a 35n/an/an/an/a4.5n/a



Fondazione Istituto Italiano Di Technologia

US Patent


Assay Description
A hAC protein preparation (10 μg) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 0.1% ...

US Patent US9428465 (2016)


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


(Rattus norvegicus (Rat))		BDBM241944
PNG
(US9428465, 16)
Show SMILES CCCCCCNC(=O)n1cc(C)c(=O)n(CC2CC2)c1=O
Show InChI InChI=1S/C16H25N3O3/c1-3-4-5-6-9-17-15(21)19-10-12(2)14(20)18(16(19)22)11-13-7-8-13/h10,13H,3-9,11H2,1-2H3,(H,17,21)
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n/an/a 40n/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


(Rattus norvegicus (Rat))		BDBM50431262
PNG
(CHEMBL2333042 | US9428465, 5)
Show SMILES CCCCCCNC(=O)n1cc(Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16BrN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
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n/an/a 51n/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


(Rattus norvegicus (Rat))		BDBM50431272
PNG
(CHEMBL2333032 | US9428465, 3)
Show SMILES CCCCCCNC(=O)n1cc(Cl)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16ClN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
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n/an/a 67n/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


(Rattus norvegicus (Rat))		BDBM50431263
PNG
(CHEMBL2333041 | US9428465, 8)
Show SMILES CCCCCCNC(=O)n1cc(I)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16IN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
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n/an/a 147n/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


(Homo sapiens (Human))		BDBM50431264
PNG
(CHEMBL2333040 | US9428465, 14)
Show SMILES CCCCCCNC(=O)n1cc(-c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H21N3O3/c1-2-3-4-8-11-18-16(22)20-12-14(15(21)19-17(20)23)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,18,22)(H,19,21,23)
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n/an/a 155n/an/an/an/a4.5n/a



Fondazione Istituto Italiano Di Technologia

US Patent


Assay Description
A hAC protein preparation (10 μg) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 0.1% ...

US Patent US9428465 (2016)


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


(Rattus norvegicus (Rat))		BDBM50431264
PNG
(CHEMBL2333040 | US9428465, 14)
Show SMILES CCCCCCNC(=O)n1cc(-c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H21N3O3/c1-2-3-4-8-11-18-16(22)20-12-14(15(21)19-17(20)23)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,18,22)(H,19,21,23)
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n/an/a 177n/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


(Homo sapiens (Human))		BDBM241945
PNG
(US9428465, 23)
Show SMILES CCCCCCNC(=O)n1cc(Br)c(=O)n(C(=O)OC)c1=O
Show InChI InChI=1S/C13H18BrN3O5/c1-3-4-5-6-7-15-11(19)16-8-9(14)10(18)17(12(16)20)13(21)22-2/h8H,3-7H2,1-2H3,(H,15,19)
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n/an/a 270n/an/an/an/a4.5n/a



Fondazione Istituto Italiano Di Technologia

US Patent


Assay Description
A hAC protein preparation (10 μg) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 0.1% ...

US Patent US9428465 (2016)


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


(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)
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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


(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)
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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


(Rattus norvegicus (Rat))		BDBM50431268
PNG
(CHEMBL2333036 | US9428465, 9)
Show SMILES CCCCCCNC(=O)n1cc(OC)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O4/c1-3-4-5-6-7-13-11(17)15-8-9(19-2)10(16)14-12(15)18/h8H,3-7H2,1-2H3,(H,13,17)(H,14,16,18)
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n/an/a 1.10E+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


(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)
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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
Acid ceramidase


(Rattus norvegicus (Rat))		BDBM50431261
PNG
(CHEMBL2333044 | US9428465, 11)
Show SMILES CCCCCCNC(=O)n1cc(NC)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H20N4O3/c1-3-4-5-6-7-14-11(18)16-8-9(13-2)10(17)15-12(16)19/h8,13H,3-7H2,1-2H3,(H,14,18)(H,15,17,19)
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n/an/a 3.40E+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
Acid ceramidase


(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)
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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
* indicates data uncertainty>20%