BDBM50546440 CHEMBL552462

SMILES COc1ccc(Nc2nc(N)c(s2)C(=O)c2ccc(OC)c(OC)c2)cc1

InChI Key InChIKey=OWBQCPZBRPKYKE-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50546440   

TargetSphingosine kinase 1(Human)
Pennsylvania State University College of Medicine

Curated by ChEMBL
LigandPNGBDBM50546440(CHEMBL552462)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of recombinant His6x-tagged human SphK1 expressed in HEK293 cells assessed as reduction in S1P formation using D-erythro-sphingosine as su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetSphingosine kinase 1(Human)
Pennsylvania State University College of Medicine

Curated by ChEMBL
LigandPNGBDBM50546440(CHEMBL552462)
Affinity DataIC50: 60nMAssay Description:Binding affinity to SphK1 in HEK293 cells assessed as direct target engagement incubated for 24 hrs followed by thermal denaturation at 61 degreeC by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetSphingosine kinase 2(Human)
Pennsylvania State University College of Medicine

Curated by ChEMBL
LigandPNGBDBM50546440(CHEMBL552462)
Affinity DataIC50: 60nMAssay Description:Binding affinity to SphK2 in HEK293 cells assessed as direct target engagement incubated for 24 hrs followed by thermal denaturation at 61 degreeC by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetTubulin beta-3 chain(Human)
Pennsylvania State University College of Medicine

Curated by ChEMBL
LigandPNGBDBM50546440(CHEMBL552462)
Affinity DataIC50: 25nMAssay Description:Binding affinity to beta tubulin in HEK293 cells assessed as disruption of microtubule polymerization by ITDRF-CETSA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed