BDBM313177 US10166249, Example 693::US10709719, Example 694::US11058696, Example 693::US11701373, Example 693

SMILES COc1cccc(CCC2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1

InChI Key InChIKey=OPWNVYPWPMIBGP-MAYCQTMOSA-N

Data  4 IC50  8 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 12 hits for monomerid = 313177   

TargetSphingosine-1-phosphate lyase 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM313177(US10166249, Example 693 | US10709719, Example 694 ...)
Affinity DataIC50:  5.20nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSphingosine-1-phosphate lyase 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM313177(US10166249, Example 693 | US10709719, Example 694 ...)
Affinity DataEC50:  19.2nMAssay Description:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 l/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal5...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM313177(US10166249, Example 693 | US10709719, Example 694 ...)
Affinity DataEC50: >4.16E+3nMAssay Description:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 l/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal5...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM313177(US10166249, Example 693 | US10709719, Example 694 ...)
Affinity DataIC50:  5.20nMAssay Description:GTPγS: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 c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM313177(US10166249, Example 693 | US10709719, Example 694 ...)
Affinity DataEC50:  19.2nMAssay Description:GTPγS: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 c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM313177(US10166249, Example 693 | US10709719, Example 694 ...)
Affinity DataIC50:  5.20nMAssay Description:In vitro characterization of biological activity of the examples was conducted on synthetically prepared samples of the phosphorylated compounds. S1P...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM313177(US10166249, Example 693 | US10709719, Example 694 ...)
Affinity DataEC50:  38.6nMAssay Description:GTPγS: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 c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM313177(US10166249, Example 693 | US10709719, Example 694 ...)
Affinity DataEC50: >1.25E+3nMAssay Description:GTPγS: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 c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSphingosine 1-phosphate receptor 1(Mus musculus (Mouse))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM313177(US10166249, Example 693 | US10709719, Example 694 ...)
Affinity DataIC50:  5.20nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSphingosine 1-phosphate receptor 1(Mus musculus (Mouse))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM313177(US10166249, Example 693 | US10709719, Example 694 ...)
Affinity DataEC50:  19.2nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM313177(US10166249, Example 693 | US10709719, Example 694 ...)
Affinity DataEC50: >4.16E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM313177(US10166249, Example 693 | US10709719, Example 694 ...)
Affinity DataEC50: >4.16E+3nMAssay Description:GTPγS: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 c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent