BDBM50148425 CHEMBL119873::[3-(3-Fluoro-4-octyloxy-benzylamino)-propyl]-phosphonic acid
SMILES: CCCCCCCCOc1ccc(CNCCCP(O)(O)=O)cc1F
InChI Key: InChIKey=YFWUAIPFVJAYCH-UHFFFAOYSA-N
Data: 5 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM50148425 (CHEMBL119873 | [3-(3-Fluoro-4-octyloxy-benzylamino...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human sphingosine 1-phosphate receptor 3 expressed in CHO cells was determined by using [33P]-S1P as radioligand | Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50148425 (CHEMBL119873 | [3-(3-Fluoro-4-octyloxy-benzylamino...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand | Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM50148425 (CHEMBL119873 | [3-(3-Fluoro-4-octyloxy-benzylamino...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand | Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysophosphatidic acid receptor Edg-4 (Homo sapiens (Human)) | BDBM50148425 (CHEMBL119873 | [3-(3-Fluoro-4-octyloxy-benzylamino...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human sphingosine 1-phosphate receptor 4 expressed in CHO cells was determined by using [33P]-S1P as radioligand | Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM50148425 (CHEMBL119873 | [3-(3-Fluoro-4-octyloxy-benzylamino...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand | Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76 | |||||||||||
More data for this Ligand-Target Pair |