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Compile Data Set for Download or QSAR

Found 6 hits of ic50 data for polymerid = 50006141   
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
Neutral ceramidase


(Homo sapiens (Human))
BDBM50569052
PNG
(CHEMBL4866400)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)NCCCCCC |r|
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ASAH2 using RBM14C24 fluorogenic substrate measured at pH 7.5


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113296
BindingDB Entry DOI: 10.7270/Q2W66QJW
More data for this
Ligand-Target Pair
Neutral ceramidase


(Homo sapiens (Human))
BDBM50569052
PNG
(CHEMBL4866400)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)NCCCCCC |r|
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n/an/a 366n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ASAH2 stably over expressed in human A-375 cell lysate using RBM14C24 fluorogenic substrate measured at pH 7.5 by fluorescence sp...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113296
BindingDB Entry DOI: 10.7270/Q2W66QJW
More data for this
Ligand-Target Pair
Neutral ceramidase


(Homo sapiens (Human))
BDBM50392471
PNG
(CHEMBL2152040)
Show SMILES CCCCCCCCCCCCS(=O)(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C21H36N2O6S/c1-2-3-4-5-6-7-8-9-10-11-16-30(28,29)22-20(17-24)21(25)18-12-14-19(15-13-18)23(26)27/h12-15,20-22,24-25H,2-11,16-17H2,1H3/t20-,21-/m1/s1
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n/an/a 5.40E+4n/an/an/an/an/an/a



Humboldt Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of recombinant human nCDase expressed in Sf9 cells using fluorescently-labeled acyl-NBD-C12-ceramide as substrate after 2 hrs by fluoresce...


Bioorg Med Chem 20: 6162-70 (2012)


Article DOI: 10.1016/j.bmc.2012.08.031
BindingDB Entry DOI: 10.7270/Q29Z960Z
More data for this
Ligand-Target Pair
Neutral ceramidase


(Homo sapiens (Human))
BDBM50392472
PNG
(CHEMBL408217)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O |r|
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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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Humboldt Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of recombinant human nCDase expressed in Sf9 cells using fluorescently-labeled acyl-NBD-C12-ceramide as substrate after 2 hrs by fluoresce...


Bioorg Med Chem 20: 6162-70 (2012)


Article DOI: 10.1016/j.bmc.2012.08.031
BindingDB Entry DOI: 10.7270/Q29Z960Z
More data for this
Ligand-Target Pair
Neutral ceramidase


(Homo sapiens (Human))
BDBM50428951
PNG
(CHEMBL2333179)
Show SMILES C[C@@H](NC(=O)CCCCCCCCCCCN(C)C)[C@@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C23H40N2O2/c1-20(23(27)21-16-12-11-13-17-21)24-22(26)18-14-9-7-5-4-6-8-10-15-19-25(2)3/h11-13,16-17,20,23,27H,4-10,14-15,18-19H2,1-3H3,(H,24,26)/t20-,23-/m1/s1
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Similars

Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Humboldt Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of human recombinant neutral ceramidase using Acyl-NBD-C12-cer as substrate after 2 hrs by fluorescence assay


Bioorg Med Chem 21: 874-82 (2013)


Article DOI: 10.1016/j.bmc.2012.12.014
BindingDB Entry DOI: 10.7270/Q29Z9673
More data for this
Ligand-Target Pair
Neutral ceramidase


(Homo sapiens (Human))
BDBM50392472
PNG
(CHEMBL408217)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O |r|
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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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Humboldt Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of human recombinant neutral ceramidase using Acyl-NBD-C12-cer as substrate after 2 hrs by fluorescence assay


Bioorg Med Chem 21: 874-82 (2013)


Article DOI: 10.1016/j.bmc.2012.12.014
BindingDB Entry DOI: 10.7270/Q29Z9673
More data for this
Ligand-Target Pair