BDBM50282224 CHEMBL4172856

SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCCC2CCN(CC2)C(=O)OC2(C)CC2)c2ccccc2n(C)c1=O

InChI Key InChIKey=JDQOICVJUDEXEQ-UHFFFAOYSA-N

Data  2 IC50  6 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50282224   

TargetPhosphatidylcholine:ceramide cholinephosphotransferase 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50282224(CHEMBL4172856)
Affinity DataKd:  38nMAssay Description:Binding affinity to full length C-terminal FLAG tagged human SMS2 expressed in HEK293 cells after 120 mins by AS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2020
Entry Details Article
PubMed
TargetPhosphatidylcholine:ceramide cholinephosphotransferase 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50282224(CHEMBL4172856)
Affinity DataKd:  240nMAssay Description:Binding affinity to full length C-terminal FLAG tagged human SMS2 S217A mutant expressed in HEK293 cells after 120 mins by AS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2020
Entry Details Article
PubMed
TargetPhosphatidylcholine:ceramide cholinephosphotransferase 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50282224(CHEMBL4172856)
Affinity DataKd: >3.00E+3nMAssay Description:Binding affinity to full length C-terminal FLAG tagged human SMS2 S227A mutant expressed in HEK293 cells after 120 mins by AS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2020
Entry Details Article
PubMed
TargetPhosphatidylcholine:ceramide cholinephosphotransferase 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50282224(CHEMBL4172856)
Affinity DataKd: >3.00E+3nMAssay Description:Binding affinity to full length C-terminal FLAG tagged human SMS2 H229A mutant expressed in HEK293 cells after 120 mins by AS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2020
Entry Details Article
PubMed
TargetPhosphatidylcholine:ceramide cholinephosphotransferase 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50282224(CHEMBL4172856)
Affinity DataKd:  30nMAssay Description:Binding affinity to full length C-terminal FLAG tagged human SMS2 H272A mutant expressed in HEK293 cells after 120 mins by AS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2020
Entry Details Article
PubMed
TargetPhosphatidylcholine:ceramide cholinephosphotransferase 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50282224(CHEMBL4172856)
Affinity DataKd:  28nMAssay Description:Binding affinity to full length C-terminal FLAG tagged human SMS2 D276A mutant expressed in HEK293 cells after 120 mins by AS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2020
Entry Details Article
PubMed
TargetPhosphatidylcholine:ceramide cholinephosphotransferase 1(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50282224(CHEMBL4172856)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of full length C-terminal FLAG tagged human SMS1 expressed in HEK293 cell membranes using DMPC-d72 and C17-ceramide as substrate preincuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2020
Entry Details Article
PubMed
TargetPhosphatidylcholine:ceramide cholinephosphotransferase 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50282224(CHEMBL4172856)
Affinity DataIC50: 6.5nMAssay Description:Inhibition of full length C-terminal FLAG tagged human SMS2 expressed in HEK293 cell membranes using DMPC-d72 and C17-ceramide as substrate preincuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2020
Entry Details Article
PubMed