BDBM50438132 CHEMBL2409865

SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)cc1

InChI Key InChIKey=SQJKFWCRPARYPY-MOPGFXCFSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50438132   

TargetSphingosine kinase 2(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50438132(CHEMBL2409865)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSphingosine kinase 2(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50438132(CHEMBL2409865)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of human SPHK2 by biochemical assayMore data for this Ligand-Target Pair
In DepthDetails PubMed

TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50438132(CHEMBL2409865)
Affinity DataIC50:  20nMAssay Description:Inhibition of human SPHK1 by biochemical assayMore data for this Ligand-Target Pair
In DepthDetails PubMedPDB3D3D Structure (crystal)

TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50438132(CHEMBL2409865)
Affinity DataIC50:  20nMAssay Description:Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)