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Compile Data Set for Download or QSAR

Found 204 hits of ic50 data for polymerid = 10603   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acid ceramidase


(Homo sapiens (Human))
BDBM367209
PNG
(2-oxo-4-phenyl-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES O=C(NCCCCc1ccccc1)n1c2c(cccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C24H22N2O3/c27-23(25-17-8-7-12-18-10-3-1-4-11-18)26-22-20(19-13-5-2-6-14-19)15-9-16-21(22)29-24(26)28/h1-6,9-11,13-16H,7-8,12,17H2,(H,25,27)
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n/an/a 0.800n/an/an/an/an/an/a



University of California

US Patent


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 ...


US Patent US10226452 (2019)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367209
PNG
(2-oxo-4-phenyl-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES O=C(NCCCCc1ccccc1)n1c2c(cccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C24H22N2O3/c27-23(25-17-8-7-12-18-10-3-1-4-11-18)26-22-20(19-13-5-2-6-14-19)15-9-16-21(22)29-24(26)28/h1-6,9-11,13-16H,7-8,12,17H2,(H,25,27)
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n/an/a 0.800n/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))
BDBM50238556
PNG
(CHEMBL4093029)
Show SMILES Nc1nc2ccccc2n1C(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C18H20N4O/c19-17-21-15-11-4-5-12-16(15)22(17)18(23)20-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2,(H2,19,21)(H,20,23)
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n/an/a 0.900n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238557
PNG
(CHEMBL4103207)
Show SMILES Cc1nc2ccccc2n1C(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C19H21N3O/c1-15-21-17-12-5-6-13-18(17)22(15)19(23)20-14-8-7-11-16-9-3-2-4-10-16/h2-6,9-10,12-13H,7-8,11,14H2,1H3,(H,20,23)
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n/an/a 1n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367226
PNG
(4-fluoro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES Fc1cccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c12
Show InChI InChI=1S/C18H17FN2O3/c19-14-10-6-11-15-16(14)21(18(23)24-15)17(22)20-12-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10-11H,4-5,9,12H2,(H,20,22)
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n/an/a 1n/an/an/an/an/an/a



University of California

US Patent


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 ...


US Patent US10226452 (2019)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238562
PNG
(CHEMBL4084295)
Show SMILES O=C(NCCCCc1ccccc1)n1nnc2ncccc12
Show InChI InChI=1S/C16H17N5O/c22-16(21-14-10-6-12-17-15(14)19-20-21)18-11-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10,12H,4-5,9,11H2,(H,18,22)
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n/an/a 1.30n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238574
PNG
(CHEMBL4092051)
Show SMILES O=C(NCCCCc1ccccc1)n1nnc2ccccc12
Show InChI InChI=1S/C17H18N4O/c22-17(21-16-12-5-4-11-15(16)19-20-21)18-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2,(H,18,22)
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n/an/a 2.10n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238573
PNG
(CHEMBL4062592)
Show SMILES CCCCCCNC(=O)n1nnc2ncccc12
Show InChI InChI=1S/C12H17N5O/c1-2-3-4-5-8-14-12(18)17-10-7-6-9-13-11(10)15-16-17/h6-7,9H,2-5,8H2,1H3,(H,14,18)
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n/an/a 2.20n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238569
PNG
(CHEMBL4075447)
Show SMILES O=C(NCCCCc1ccccc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H18N2O3/c22-17-15-11-4-5-12-16(15)18(23)21(17)19(24)20-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2,(H,20,24)
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n/an/a 2.40n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238572
PNG
(CHEMBL4065362)
Show SMILES CCCCCCNC(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H20N4O/c1-2-3-4-7-10-16-14(19)18-12-9-6-5-8-11(12)17-13(18)15/h5-6,8-9H,2-4,7,10H2,1H3,(H2,15,17)(H,16,19)
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n/an/a 2.40n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238568
PNG
(CHEMBL4100744)
Show SMILES O=C(NCCCCc1ccccc1)n1cnc2ccccc12
Show InChI InChI=1S/C18H19N3O/c22-18(21-14-20-16-11-4-5-12-17(16)21)19-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,19,22)
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n/an/a 2.5n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50511300
PNG
(CHEMBL4580541)
Show SMILES O=C(NCCCCc1ccccc1)n1c2ccncc2oc1=O
Show InChI InChI=1S/C17H17N3O3/c21-16(19-10-5-4-8-13-6-2-1-3-7-13)20-14-9-11-18-12-15(14)23-17(20)22/h1-3,6-7,9,11-12H,4-5,8,10H2,(H,19,21)
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n/an/a 3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human acid ceramidase expressed in HEK293 cells using Rbm14-12 as substrate preincubated for 10 mins followed by substrate addition and...


J Med Chem 63: 3634-3664 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02004
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367195
PNG
(6-nitro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole-...)
Show SMILES [O-][N+](=O)c1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C18H17N3O5/c22-17(19-11-5-4-8-13-6-2-1-3-7-13)20-15-10-9-14(21(24)25)12-16(15)26-18(20)23/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,19,22)
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n/an/a 3n/an/an/an/an/an/a



University of California

US Patent


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 ...


US Patent US10226452 (2019)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367195
PNG
(6-nitro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole-...)
Show SMILES [O-][N+](=O)c1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C18H17N3O5/c22-17(19-11-5-4-8-13-6-2-1-3-7-13)20-15-10-9-14(21(24)25)12-16(15)26-18(20)23/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,19,22)
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n/an/a 3n/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))
BDBM367194
PNG
(5-nitro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole-...)
Show SMILES [O-][N+](=O)c1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C18H17N3O5/c22-17(19-11-5-4-8-13-6-2-1-3-7-13)20-15-12-14(21(24)25)9-10-16(15)26-18(20)23/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,19,22)
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n/an/a 3n/an/an/an/an/an/a



University of California

US Patent


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 ...


US Patent US10226452 (2019)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367194
PNG
(5-nitro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole-...)
Show SMILES [O-][N+](=O)c1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C18H17N3O5/c22-17(19-11-5-4-8-13-6-2-1-3-7-13)20-15-12-14(21(24)25)9-10-16(15)26-18(20)23/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,19,22)
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n/an/a 3n/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))
BDBM50238578
PNG
(CHEMBL4071239)
Show SMILES CCCCCCNC(=O)n1nnc2ccccc12
Show InChI InChI=1S/C13H18N4O/c1-2-3-4-7-10-14-13(18)17-12-9-6-5-8-11(12)15-16-17/h5-6,8-9H,2-4,7,10H2,1H3,(H,14,18)
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n/an/a 4.10n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238558
PNG
(CHEMBL4075028)
Show SMILES O=C(NCCCCc1ccccc1)n1ncc2ccccc12
Show InChI InChI=1S/C18H19N3O/c22-18(21-17-12-5-4-11-16(17)14-20-21)19-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,19,22)
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n/an/a 4.70n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50511282
PNG
(CHEMBL4592427)
Show SMILES O=C(NCCCCc1ccccc1)n1c2cnccc2oc1=O
Show InChI InChI=1S/C17H17N3O3/c21-16(19-10-5-4-8-13-6-2-1-3-7-13)20-14-12-18-11-9-15(14)23-17(20)22/h1-3,6-7,9,11-12H,4-5,8,10H2,(H,19,21)
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n/an/a 6n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human acid ceramidase expressed in HEK293 cells using Rbm14-12 as substrate preincubated for 10 mins followed by substrate addition and...


J Med Chem 63: 3634-3664 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02004
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238563
PNG
(Benzoimidazole-1-Carboxylic Acid Hexylamide | CHEM...)
Show SMILES CCCCCCNC(=O)n1cnc2ccccc12
Show InChI InChI=1S/C14H19N3O/c1-2-3-4-7-10-15-14(18)17-11-16-12-8-5-6-9-13(12)17/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,15,18)
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n/an/a 6.60n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238577
PNG
(CHEMBL4096883)
Show SMILES Cc1ccc(CNC(=O)n2c(N)nc3ccccc23)cc1
Show InChI InChI=1S/C16H16N4O/c1-11-6-8-12(9-7-11)10-18-16(21)20-14-5-3-2-4-13(14)19-15(20)17/h2-9H,10H2,1H3,(H2,17,19)(H,18,21)
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n/an/a 7n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238570
PNG
(CHEMBL4089655)
Show SMILES CCCCCCNC(=O)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H18N2O3/c1-2-3-4-7-10-16-15(20)17-13(18)11-8-5-6-9-12(11)14(17)19/h5-6,8-9H,2-4,7,10H2,1H3,(H,16,20)
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n/an/a 7n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake in rat synaptosomal fraction


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238576
PNG
(CHEMBL4076230)
Show SMILES Cc1cccc(CNC(=O)n2cnc3ccccc23)c1
Show InChI InChI=1S/C16H15N3O/c1-12-5-4-6-13(9-12)10-17-16(20)19-11-18-14-7-2-3-8-15(14)19/h2-9,11H,10H2,1H3,(H,17,20)
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n/an/a 8.30n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238561
PNG
(CHEMBL4101140)
Show SMILES Cc1cccc(CNC(=O)n2c(N)nc3ccccc23)c1
Show InChI InChI=1S/C16H16N4O/c1-11-5-4-6-12(9-11)10-18-16(21)20-14-8-3-2-7-13(14)19-15(20)17/h2-9H,10H2,1H3,(H2,17,19)(H,18,21)
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n/an/a 8.5n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367187
PNG
(5-chloro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES Clc1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C18H17ClN2O3/c19-14-9-10-16-15(12-14)21(18(23)24-16)17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,20,22)
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n/an/a 9n/an/an/an/an/an/a



University of California

US Patent


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 ...


US Patent US10226452 (2019)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238565
PNG
(CHEMBL4095461)
Show SMILES CCCCCCNC(=O)n1ncc2ccccc12
Show InChI InChI=1S/C14H19N3O/c1-2-3-4-7-10-15-14(18)17-13-9-6-5-8-12(13)11-16-17/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,15,18)
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n/an/a 9.90n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367186
PNG
(6-fluoro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES Fc1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C18H17FN2O3/c19-14-9-10-15-16(12-14)24-18(23)21(15)17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,20,22)
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n/an/a 10n/an/an/an/an/an/a



University of California

US Patent


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 ...


US Patent US10226452 (2019)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367198
PNG
(5-cyano-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole-...)
Show SMILES O=C(NCCCCc1ccccc1)n1c2cc(ccc2oc1=O)C#N
Show InChI InChI=1S/C19H17N3O3/c20-13-15-9-10-17-16(12-15)22(19(24)25-17)18(23)21-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,21,23)
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n/an/a 11n/an/an/an/an/an/a



University of California

US Patent


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 ...


US Patent US10226452 (2019)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367196
PNG
(2-oxo-N-(4-phenylbutyl)-5- (trifluoromethyl)-1,3- ...)
Show SMILES FC(F)(F)c1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C19H17F3N2O3/c20-19(21,22)14-9-10-16-15(12-14)24(18(26)27-16)17(25)23-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,23,25)
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n/an/a 11n/an/an/an/an/an/a



University of California

US Patent


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 ...


US Patent US10226452 (2019)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367185
PNG
(5-fluoro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES Fc1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C18H17FN2O3/c19-14-9-10-16-15(12-14)21(18(23)24-16)17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,20,22)
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n/an/a 12n/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 (AC)


(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))
BDBM50238554
PNG
(CHEMBL4094489)
Show SMILES COc1nc2ccccc2n1C(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C19H21N3O2/c1-24-19-21-16-12-5-6-13-17(16)22(19)18(23)20-14-8-7-11-15-9-3-2-4-10-15/h2-6,9-10,12-13H,7-8,11,14H2,1H3,(H,20,23)
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n/an/a 14n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367214
PNG
(6-(4-chlorobenzoyl)-2-oxo-N- (4-phenylbutyl)-1,3- ...)
Show SMILES Clc1ccc(cc1)C(=O)c1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C25H21ClN2O4/c26-20-12-9-18(10-13-20)23(29)19-11-14-21-22(16-19)32-25(31)28(21)24(30)27-15-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-14,16H,4-5,8,15H2,(H,27,30)
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n/an/a 14n/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))
BDBM367214
PNG
(6-(4-chlorobenzoyl)-2-oxo-N- (4-phenylbutyl)-1,3- ...)
Show SMILES Clc1ccc(cc1)C(=O)c1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C25H21ClN2O4/c26-20-12-9-18(10-13-20)23(29)19-11-14-21-22(16-19)32-25(31)28(21)24(30)27-15-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-14,16H,4-5,8,15H2,(H,27,30)
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n/an/a 14n/an/an/an/an/an/a



University of California

US Patent


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 ...


US Patent US10226452 (2019)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238566
PNG
(CHEMBL4075846)
Show SMILES Cc1ccc(CNC(=O)n2cnc3ccccc23)cc1
Show InChI InChI=1S/C16H15N3O/c1-12-6-8-13(9-7-12)10-17-16(20)19-11-18-14-4-2-3-5-15(14)19/h2-9,11H,10H2,1H3,(H,17,20)
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n/an/a 15n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367187
PNG
(5-chloro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES Clc1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C18H17ClN2O3/c19-14-9-10-16-15(12-14)21(18(23)24-16)17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,20,22)
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n/an/a 15n/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))
BDBM367212
PNG
(2-oxo-N-(4-phenylbutyl)-6- propanoyl-1,3-benzoxazo...)
Show SMILES CCC(=O)c1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C21H22N2O4/c1-2-18(24)16-11-12-17-19(14-16)27-21(26)23(17)20(25)22-13-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,2,6-7,10,13H2,1H3,(H,22,25)
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n/an/a 16n/an/an/an/an/an/a



University of California

US Patent


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 ...


US Patent US10226452 (2019)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367199
PNG
(5,6-dichloro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxa...)
Show SMILES Clc1cc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2cc1Cl
Show InChI InChI=1S/C18H16Cl2N2O3/c19-13-10-15-16(11-14(13)20)25-18(24)22(15)17(23)21-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,21,23)
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n/an/a 18n/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))
BDBM367201
PNG
(7-bromo-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole-...)
Show SMILES Brc1cccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc12
Show InChI InChI=1S/C18H17BrN2O3/c19-14-10-6-11-15-16(14)24-18(23)21(15)17(22)20-12-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10-11H,4-5,9,12H2,(H,20,22)
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n/an/a 18n/an/an/an/an/an/a



University of California

US Patent


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 ...


US Patent US10226452 (2019)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367199
PNG
(5,6-dichloro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxa...)
Show SMILES Clc1cc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2cc1Cl
Show InChI InChI=1S/C18H16Cl2N2O3/c19-13-10-15-16(11-14(13)20)25-18(24)22(15)17(23)21-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,21,23)
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n/an/a 18n/an/an/an/an/an/a



University of California

US Patent


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 ...


US Patent US10226452 (2019)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367201
PNG
(7-bromo-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole-...)
Show SMILES Brc1cccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc12
Show InChI InChI=1S/C18H17BrN2O3/c19-14-10-6-11-15-16(14)24-18(23)21(15)17(22)20-12-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10-11H,4-5,9,12H2,(H,20,22)
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n/an/a 18n/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))
BDBM367196
PNG
(2-oxo-N-(4-phenylbutyl)-5- (trifluoromethyl)-1,3- ...)
Show SMILES FC(F)(F)c1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C19H17F3N2O3/c20-19(21,22)14-9-10-16-15(12-14)24(18(26)27-16)17(25)23-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,23,25)
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n/an/a 18n/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))
BDBM367217
PNG
(2-oxo-N-[(4- propylphenyl)methyl]-1,3- benzoxazole...)
Show SMILES CCCc1ccc(CNC(=O)n2c3ccccc3oc2=O)cc1
Show InChI InChI=1S/C18H18N2O3/c1-2-5-13-8-10-14(11-9-13)12-19-17(21)20-15-6-3-4-7-16(15)23-18(20)22/h3-4,6-11H,2,5,12H2,1H3,(H,19,21)
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n/an/a 19n/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))
BDBM367217
PNG
(2-oxo-N-[(4- propylphenyl)methyl]-1,3- benzoxazole...)
Show SMILES CCCc1ccc(CNC(=O)n2c3ccccc3oc2=O)cc1
Show InChI InChI=1S/C18H18N2O3/c1-2-5-13-8-10-14(11-9-13)12-19-17(21)20-15-6-3-4-7-16(15)23-18(20)22/h3-4,6-11H,2,5,12H2,1H3,(H,19,21)
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n/an/a 19n/an/an/an/an/an/a



University of California

US Patent


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 ...


US Patent US10226452 (2019)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367197
PNG
(2-oxo-N-(4-phenylbutyl)-6- (trifluoromethyl)-1,3- ...)
Show SMILES FC(F)(F)c1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C19H17F3N2O3/c20-19(21,22)14-9-10-15-16(12-14)27-18(26)24(15)17(25)23-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,23,25)
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n/an/a 20n/an/an/an/an/an/a



University of California

US Patent


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 ...


US Patent US10226452 (2019)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367197
PNG
(2-oxo-N-(4-phenylbutyl)-6- (trifluoromethyl)-1,3- ...)
Show SMILES FC(F)(F)c1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C19H17F3N2O3/c20-19(21,22)14-9-10-15-16(12-14)27-18(26)24(15)17(25)23-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,23,25)
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n/an/a 20n/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))
BDBM50238571
PNG
(CHEMBL4099796)
Show SMILES O=C(NCCCCc1ccccc1)n1c2ccccc2n(C(=O)NCCCCc2ccccc2)c1=O
Show InChI InChI=1S/C29H32N4O3/c34-27(30-21-11-9-17-23-13-3-1-4-14-23)32-25-19-7-8-20-26(25)33(29(32)36)28(35)31-22-12-10-18-24-15-5-2-6-16-24/h1-8,13-16,19-20H,9-12,17-18,21-22H2,(H,30,34)(H,31,35)
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n/an/a 21n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50431275
PNG
(CARMOFUR | Mifurol | med.21724, Compound 152)
Show SMILES CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16FN3O3/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 21n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367189
PNG
(5-bromo-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole-...)
Show SMILES Brc1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C18H17BrN2O3/c19-14-9-10-16-15(12-14)21(18(23)24-16)17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,20,22)
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n/an/a 22n/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))
BDBM367189
PNG
(5-bromo-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole-...)
Show SMILES Brc1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C18H17BrN2O3/c19-14-9-10-16-15(12-14)21(18(23)24-16)17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,20,22)
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n/an/a 22n/an/an/an/an/an/a



University of California

US Patent


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 ...


US Patent US10226452 (2019)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
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