BDBM50152337 2-amino-2-({[dihydroxy(oxido)--phosphanyl]oxy}methyl)-4-(4-octylphenyl)butan-1-ol::3-(N-alkylamino) propylphosphonic acid derivative

SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)[O-])cc1

InChI Key InChIKey=KKNUGAMJKIHACQ-UHFFFAOYSA-N

Data  5 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50152337   

TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50152337(2-amino-2-({[dihydroxy(oxido)--phosphanyl]oxy}meth...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)[O-])cc1
Show InChI InChI=1S/C19H35NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21-23,26H,2-8,13-16,20H2,1H3/q-1
Affinity DataIC50: 0.280nMAssay Description:Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesMore data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50152337(2-amino-2-({[dihydroxy(oxido)--phosphanyl]oxy}meth...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)[O-])cc1
Show InChI InChI=1S/C19H35NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21-23,26H,2-8,13-16,20H2,1H3/q-1
Affinity DataIC50: 0.770nMAssay Description:Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesMore data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50152337(2-amino-2-({[dihydroxy(oxido)--phosphanyl]oxy}meth...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)[O-])cc1
Show InChI InChI=1S/C19H35NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21-23,26H,2-8,13-16,20H2,1H3/q-1
Affinity DataIC50: 6.30nMAssay Description:Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 3 expressed on CHO cell membranesMore data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50152337(2-amino-2-({[dihydroxy(oxido)--phosphanyl]oxy}meth...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)[O-])cc1
Show InChI InChI=1S/C19H35NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21-23,26H,2-8,13-16,20H2,1H3/q-1
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesMore data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50152337(2-amino-2-({[dihydroxy(oxido)--phosphanyl]oxy}meth...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)[O-])cc1
Show InChI InChI=1S/C19H35NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21-23,26H,2-8,13-16,20H2,1H3/q-1
Affinity DataIC50: 15nMAssay Description:Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 4 expressed on CHO cell membranesMore data for this Ligand-Target Pair