BDBM50152329 1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid::CHEMBL184349::[1-(4-Nonyl-benzyl)-pyrrolidin-3-yl]-phosphonic acid
SMILES: CCCCCCCCCc1ccc(CN2CCC(C2)P(O)(O)=O)cc1
InChI Key: InChIKey=PRUUCTGBHIGGOH-UHFFFAOYSA-N
Data: 10 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 4 (Homo sapiens (Human)) | BDBM50152329 (1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid | ...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells | J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM50152329 (1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid | ...) | PDB 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells | J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM50152329 (1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid | ...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells | J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50152329 (1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid | ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells | J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human)) | BDBM50152329 (1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid | ...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 4 expressed on CHO cell membranes | Bioorg Med Chem Lett 14: 4861-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.049 BindingDB Entry DOI: 10.7270/Q2BK1D38 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50152329 (1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid | ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes | Bioorg Med Chem Lett 14: 4861-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.049 BindingDB Entry DOI: 10.7270/Q2BK1D38 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM50152329 (1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid | ...) | PDB 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranes | Bioorg Med Chem Lett 14: 4861-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.049 BindingDB Entry DOI: 10.7270/Q2BK1D38 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM50152329 (1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid | ...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 3 expressed on CHO cell membranes | Bioorg Med Chem Lett 14: 4861-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.049 BindingDB Entry DOI: 10.7270/Q2BK1D38 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human)) | BDBM50152329 (1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid | ...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes | Bioorg Med Chem Lett 14: 4861-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.049 BindingDB Entry DOI: 10.7270/Q2BK1D38 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human)) | BDBM50152329 (1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid | ...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells | J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F | |||||||||||
More data for this Ligand-Target Pair |