BDBM50197424 (2R,3S,5S)-5-[(hydrogen phosphonatooxy)methyl]-2-(hydroxymethyl)-3-(4-octylphenyl)pyrrolidin-1-ium::CHEMBL247699

SMILES: CCCCCCCCc1ccc(cc1)[C@@H]1C[C@@H](COP(O)([O-])=O)[NH2+][C@H]1CO

InChI Key: InChIKey=DKHSWCUVNLYVPR-UFYCRDLUSA-N

Data: 4 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50197424   

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 1 (Homo sapiens (Human))	BDBM50197424 ((2R,3S,5S)-5-[(hydrogen phosphonatooxy)methyl]-2-(...) Show SMILES CCCCCCCCc1ccc(cc1)[C@@H]1C[C@@H](COP(O)([O-])=O)[NH2+][C@H]1CO |w:19.21| Show InChI InChI=1S/C20H34NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-13-18(21-20(19)14-22)15-26-27(23,24)25/h9-12,18-22H,2-8,13-15H2,1H3,(H2,23,24,25)/t18-,19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Activity at human recombinant S1P1 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay				Bioorg Med Chem Lett 17: 491-4 (2007) Article DOI: 10.1016/j.bmcl.2006.10.014 BindingDB Entry DOI: 10.7270/Q2028SCS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50197424 ((2R,3S,5S)-5-[(hydrogen phosphonatooxy)methyl]-2-(...) Show SMILES CCCCCCCCc1ccc(cc1)[C@@H]1C[C@@H](COP(O)([O-])=O)[NH2+][C@H]1CO |w:19.21| Show InChI InChI=1S/C20H34NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-13-18(21-20(19)14-22)15-26-27(23,24)25/h9-12,18-22H,2-8,13-15H2,1H3,(H2,23,24,25)/t18-,19-,20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16.8	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Activity at human recombinant S1P4 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay				Bioorg Med Chem Lett 17: 491-4 (2007) Article DOI: 10.1016/j.bmcl.2006.10.014 BindingDB Entry DOI: 10.7270/Q2028SCS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50197424 ((2R,3S,5S)-5-[(hydrogen phosphonatooxy)methyl]-2-(...) Show SMILES CCCCCCCCc1ccc(cc1)[C@@H]1C[C@@H](COP(O)([O-])=O)[NH2+][C@H]1CO |w:19.21| Show InChI InChI=1S/C20H34NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-13-18(21-20(19)14-22)15-26-27(23,24)25/h9-12,18-22H,2-8,13-15H2,1H3,(H2,23,24,25)/t18-,19-,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.80	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Activity at human recombinant S1P5 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay				Bioorg Med Chem Lett 17: 491-4 (2007) Article DOI: 10.1016/j.bmcl.2006.10.014 BindingDB Entry DOI: 10.7270/Q2028SCS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50197424 ((2R,3S,5S)-5-[(hydrogen phosphonatooxy)methyl]-2-(...) Show SMILES CCCCCCCCc1ccc(cc1)[C@@H]1C[C@@H](COP(O)([O-])=O)[NH2+][C@H]1CO |w:19.21| Show InChI InChI=1S/C20H34NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-13-18(21-20(19)14-22)15-26-27(23,24)25/h9-12,18-22H,2-8,13-15H2,1H3,(H2,23,24,25)/t18-,19-,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Activity at human recombinant S1P3 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay				Bioorg Med Chem Lett 17: 491-4 (2007) Article DOI: 10.1016/j.bmcl.2006.10.014 BindingDB Entry DOI: 10.7270/Q2028SCS
					More data for this Ligand-Target Pair