BDBM511434 US11058696, Example 698

SMILES COc1ccccc1CCC1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1

InChI Key InChIKey=CDZQINDPHHFTHS-UHFFFAOYSA-N

Data  1 IC50  2 EC50

  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 3 hits for monomerid = 511434   

TargetSphingosine 1-phosphate receptor 1(Mouse)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM511434(US11058696, Example 698)
Affinity DataIC50: 69.4nMAssay Description:Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1×109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2022
Entry Details
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TargetSphingosine 1-phosphate receptor 1(Mouse)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM511434(US11058696, Example 698)
Affinity DataEC50:  8.90nMAssay Description:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2022
Entry Details
Go to US Patent

TargetSphingosine 1-phosphate receptor 3(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM511434(US11058696, Example 698)
Affinity DataEC50: >625nMAssay Description:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2022
Entry Details
Go to US Patent