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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50049299   
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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 | Carm-ofur | Mifurol | med.21724, Compou...)
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))
BDBM50238555
PNG
(CHEMBL4076865)
Show SMILES O=C(NCc1ccccc1)n1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O/c19-15(16-10-12-6-2-1-3-7-12)18-11-17-13-8-4-5-9-14(13)18/h1-9,11H,10H2,(H,16,19)
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n/an/a 23n/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))
BDBM50238567
PNG
(CHEMBL4075647)
Show SMILES Nc1nc2ccccc2n1C(=O)NCc1ccccc1
Show InChI InChI=1S/C15H14N4O/c16-14-18-12-8-4-5-9-13(12)19(14)15(20)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,18)(H,17,20)
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n/an/a 29n/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))
BDBM50238575
PNG
(CHEMBL4077199)
Show SMILES Cc1ccccc1CNC(=O)n1cnc2ccccc12
Show InChI InChI=1S/C16H15N3O/c1-12-6-2-3-7-13(12)10-17-16(20)19-11-18-14-8-4-5-9-15(14)19/h2-9,11H,10H2,1H3,(H,17,20)
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n/an/a 56n/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))
BDBM50238559
PNG
(CHEMBL4090927)
Show SMILES Cc1ccccc1CNC(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C16H16N4O/c1-11-6-2-3-7-12(11)10-18-16(21)20-14-9-5-4-8-13(14)19-15(20)17/h2-9H,10H2,1H3,(H2,17,19)(H,18,21)
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n/an/a 68n/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))
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 76n/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))
BDBM50431275
PNG
(CARMOFUR | Carm-ofur | Mifurol | med.21724, Compou...)
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 191n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of acid ceramidase in human A375 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measure...


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 230n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of acid ceramidase in human G361 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measure...


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))
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 505n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of acid ceramidase in human A375 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measure...


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 | Carm-ofur | Mifurol | med.21724, Compou...)
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 759n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of acid ceramidase in human G361 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measure...


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))
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 928n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of acid ceramidase in human G361 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measure...


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))
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 967n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of acid ceramidase in human A375 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measure...


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))
BDBM50238555
PNG
(CHEMBL4076865)
Show SMILES O=C(NCc1ccccc1)n1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O/c19-15(16-10-12-6-2-1-3-7-12)18-11-17-13-8-4-5-9-14(13)18/h1-9,11H,10H2,(H,16,19)
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n/an/a 1.06E+3n/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))
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 2.78E+3n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of acid ceramidase in human G361 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measure...


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))
BDBM50238555
PNG
(CHEMBL4076865)
Show SMILES O=C(NCc1ccccc1)n1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O/c19-15(16-10-12-6-2-1-3-7-12)18-11-17-13-8-4-5-9-14(13)18/h1-9,11H,10H2,(H,16,19)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of acid ceramidase in human G361 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measure...


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))
BDBM50238564
PNG
(CHEMBL4075570)
Show SMILES O=C(NCCCCc1ccccc1)Nc1nc2ccccc2o1
Show InChI InChI=1S/C18H19N3O2/c22-17(19-13-7-6-10-14-8-2-1-3-9-14)21-18-20-15-11-4-5-12-16(15)23-18/h1-5,8-9,11-12H,6-7,10,13H2,(H2,19,20,21,22)
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n/an/a>1.00E+4n/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))
BDBM50238450
PNG
(CHEMBL4086076)
Show SMILES CCCCCCNC(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C14H19N3OS/c1-2-3-4-7-10-15-13(18)17-14-16-11-8-5-6-9-12(11)19-14/h5-6,8-9H,2-4,7,10H2,1H3,(H2,15,16,17,18)
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n/an/a>1.00E+4n/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))
BDBM50238560
PNG
(CHEMBL4081779)
Show SMILES O=C(NCCCCc1ccccc1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C18H19N3O2/c22-17(19-13-7-6-10-14-8-2-1-3-9-14)21-16-12-5-4-11-15(16)20-18(21)23/h1-5,8-9,11-12H,6-7,10,13H2,(H,19,22)(H,20,23)
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n/an/a>1.00E+4n/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))
BDBM50238452
PNG
(CHEMBL4084302)
Show SMILES CCCCCCNC(=O)Nc1nc2ccccc2o1
Show InChI InChI=1S/C14H19N3O2/c1-2-3-4-7-10-15-13(18)17-14-16-11-8-5-6-9-12(11)19-14/h5-6,8-9H,2-4,7,10H2,1H3,(H2,15,16,17,18)
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n/an/a>1.00E+4n/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))
BDBM50238453
PNG
(CHEMBL4092056)
Show SMILES CCCCCCNC(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H20N4O/c1-2-3-4-7-10-15-14(19)18-13-16-11-8-5-6-9-12(11)17-13/h5-6,8-9H,2-4,7,10H2,1H3,(H3,15,16,17,18,19)
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n/an/a>1.00E+4n/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))
BDBM50238454
PNG
(CHEMBL4067955)
Show SMILES O=C(NCCCCc1ccccc1)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H20N4O/c23-18(19-13-7-6-10-14-8-2-1-3-9-14)22-17-20-15-11-4-5-12-16(15)21-17/h1-5,8-9,11-12H,6-7,10,13H2,(H3,19,20,21,22,23)
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n/an/a>1.00E+4n/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))
BDBM50238451
PNG
(CHEMBL4103996)
Show SMILES O=C(NCCCCc1ccccc1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C18H19N3OS/c22-17(19-13-7-6-10-14-8-2-1-3-9-14)21-18-20-15-11-4-5-12-16(15)23-18/h1-5,8-9,11-12H,6-7,10,13H2,(H2,19,20,21,22)
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n/an/a>1.00E+4n/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