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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Acid ceramidase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM29080
PNG
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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5.00E+5n/an/an/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of acid ceramidase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens)
BDBM50392473
PNG
(CHEMBL429926)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](C)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-16-19-22(25)24-20(2)23(26)21-17-14-13-15-18-21/h13-15,17-18,20,23,26H,3-12,16,19H2,1-2H3,(H,24,25)/t20-,23-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Humboldt Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of aCDase expressed in human HL60 cell extract


Citation and Details
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens)
BDBM50392472
PNG
(CHEMBL408217)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H38N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(27)24-21(18-26)23(28)19-14-16-20(17-15-19)25(29)30/h14-17,21,23,26,28H,2-13,18H2,1H3,(H,24,27)/t21-,23-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of acid ceramidase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens)
BDBM50392472
PNG
(CHEMBL408217)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H38N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(27)24-21(18-26)23(28)19-14-16-20(17-15-19)25(29)30/h14-17,21,23,26,28H,2-13,18H2,1H3,(H,24,27)/t21-,23-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Humboldt Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of aCDase


Citation and Details
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens)
BDBM50392472
PNG
(CHEMBL408217)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H38N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(27)24-21(18-26)23(28)19-14-16-20(17-15-19)25(29)30/h14-17,21,23,26,28H,2-13,18H2,1H3,(H,24,27)/t21-,23-/m1/s1
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n/an/a 2.77E+4n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of ACDase in human MCF7 cell lysate using [9,10-3H] De-C16-Cer substrate after 1 hr by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens)
BDBM50382315
PNG
(CHEMBL2024682)
Show SMILES CCCCCCCCCCCCCS\C=C\[C@H](CO)NC(=O)C(C)(C)C
Show InChI InChI=1S/C22H43NO2S/c1-5-6-7-8-9-10-11-12-13-14-15-17-26-18-16-20(19-24)23-21(25)22(2,3)4/h16,18,20,24H,5-15,17,19H2,1-4H3,(H,23,25)/b18-16+/t20-/m1/s1
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n/an/a 5.10E+4n/an/an/an/an/an/a



Institute for Advanced Chemistry of Catalonia

Curated by ChEMBL


Assay Description
Inhibition of aCDase in Moh.pAS AcCer10X cells using RBM14C12 as substrate after 1 hr by HPLC-FD analysis


Citation and Details
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens)
BDBM50382315
PNG
(CHEMBL2024682)
Show SMILES CCCCCCCCCCCCCS\C=C\[C@H](CO)NC(=O)C(C)(C)C
Show InChI InChI=1S/C22H43NO2S/c1-5-6-7-8-9-10-11-12-13-14-15-17-26-18-16-20(19-24)23-21(25)22(2,3)4/h16,18,20,24H,5-15,17,19H2,1-4H3,(H,23,25)/b18-16+/t20-/m1/s1
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n/an/a 5.10E+4n/an/an/an/an/an/a



Institute for Advanced Chemistry of Catalonia

Curated by ChEMBL


Assay Description
Inhibition of aCDase using RBM14C12 as substrate after 1 hr by HPLC-FD analysis


Citation and Details
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens)
BDBM50382314
PNG
(CHEMBL2024680)
Show SMILES CCCCCCCCCCCCCS\C=C\[C@H](CO)NC(=O)CCCCCCC
Show InChI InChI=1S/C25H49NO2S/c1-3-5-7-9-10-11-12-13-14-16-18-21-29-22-20-24(23-27)26-25(28)19-17-15-8-6-4-2/h20,22,24,27H,3-19,21,23H2,1-2H3,(H,26,28)/b22-20+/t24-/m1/s1
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n/an/a 7.70E+4n/an/an/an/an/an/a



Institute for Advanced Chemistry of Catalonia

Curated by ChEMBL


Assay Description
Inhibition of aCDase in Moh.pAS AcCer10X cells using RBM14C12 as substrate after 1 hr by HPLC-FD analysis


Citation and Details
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens)
BDBM50382314
PNG
(CHEMBL2024680)
Show SMILES CCCCCCCCCCCCCS\C=C\[C@H](CO)NC(=O)CCCCCCC
Show InChI InChI=1S/C25H49NO2S/c1-3-5-7-9-10-11-12-13-14-16-18-21-29-22-20-24(23-27)26-25(28)19-17-15-8-6-4-2/h20,22,24,27H,3-19,21,23H2,1-2H3,(H,26,28)/b22-20+/t24-/m1/s1
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n/an/a 7.70E+4n/an/an/an/an/an/a



Institute for Advanced Chemistry of Catalonia

Curated by ChEMBL


Assay Description
Inhibition of aCDase using RBM14C12 as substrate after 1 hr by HPLC-FD analysis


Citation and Details
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens)
BDBM50382316
PNG
(CHEMBL2024681)
Show SMILES CCCCCCCCCCCCCS\C=C\[C@H](CO)NC(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H47NO2S/c1-5-6-7-8-9-10-11-12-13-14-15-21-32-22-20-26(23-30)29-27(31)24-16-18-25(19-17-24)28(2,3)4/h16-20,22,26,30H,5-15,21,23H2,1-4H3,(H,29,31)/b22-20+/t26-/m1/s1
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n/an/a 3.15E+5n/an/an/an/an/an/a



Institute for Advanced Chemistry of Catalonia

Curated by ChEMBL


Assay Description
Inhibition of aCDase in Moh.pAS AcCer10X cells using RBM14C12 as substrate after 1 hr by HPLC-FD analysis


Citation and Details
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens)
BDBM50382316
PNG
(CHEMBL2024681)
Show SMILES CCCCCCCCCCCCCS\C=C\[C@H](CO)NC(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H47NO2S/c1-5-6-7-8-9-10-11-12-13-14-15-21-32-22-20-26(23-30)29-27(31)24-16-18-25(19-17-24)28(2,3)4/h16-20,22,26,30H,5-15,21,23H2,1-4H3,(H,29,31)/b22-20+/t26-/m1/s1
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n/an/a 3.15E+5n/an/an/an/an/an/a



Institute for Advanced Chemistry of Catalonia

Curated by ChEMBL


Assay Description
Inhibition of aCDase using RBM14C12 as substrate after 1 hr by HPLC-FD analysis


Citation and Details
More data for this
Ligand-Target Pair