BDBM50357764 CHEMBL1916399

SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N

InChI Key InChIKey=ASJOLIPQCOYRPT-UHFFFAOYSA-N

Data  6 IC50  8 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50357764   

TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50357764(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
Affinity DataEC50:  1.20nMAssay Description:Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...More data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 1(Mus musculus (Mouse))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50357764(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
Affinity DataEC50:  1.10nMAssay Description:Agonist activity at mouse S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...More data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 1(Rattus norvegicus)
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50357764(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
Affinity DataEC50:  1nMAssay Description:Agonist activity at rat S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF ass...More data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50357764(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
Affinity DataEC50:  31nMAssay Description:Agonist activity at recombinant human S1P1 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assayMore data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50357764(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at recombinant human S1P2 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assayMore data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50357764(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at recombinant human S1P3 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50357764(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
Affinity DataIC50: 1.00E+5nMAssay Description:Displacement of [3H]astemizole from human ERGMore data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 5(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50357764(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
Affinity DataEC50:  109nMAssay Description:Agonist activity at recombinant human S1P5 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assayMore data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50357764(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50357764(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50357764(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50357764(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50357764(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 4(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50357764(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
Affinity DataEC50:  1.33E+3nMAssay Description:Agonist activity at recombinant human S1P4 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assayMore data for this Ligand-Target Pair