BDBM50148399 CHEMBL117130::Phosphoric acid mono-[1-amino-1-hydroxymethyl-3-(4-octyl-phenyl)-propyl] ester

SMILES: CCCCCCCCc1ccc(CCC(N)(CO)OP(O)(O)=O)cc1

InChI Key: InChIKey=KLULNXUHMWEEKT-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50148399   

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))	BDBM50148399 (CHEMBL117130 | Phosphoric acid mono-[1-amino-1-hyd...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)OP(O)(O)=O)cc1 Show InChI InChI=1S/C18H32NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(19,15-20)24-25(21,22)23/h9-12,20H,2-8,13-15,19H2,1H3,(H2,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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: 3495-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.069 BindingDB Entry DOI: 10.7270/Q2SF2WRM
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50148399 (CHEMBL117130 | Phosphoric acid mono-[1-amino-1-hyd...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)OP(O)(O)=O)cc1 Show InChI InChI=1S/C18H32NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(19,15-20)24-25(21,22)23/h9-12,20H,2-8,13-15,19H2,1H3,(H2,21,22,23)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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: 3495-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.069 BindingDB Entry DOI: 10.7270/Q2SF2WRM
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50148399 (CHEMBL117130 | Phosphoric acid mono-[1-amino-1-hyd...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)OP(O)(O)=O)cc1 Show InChI InChI=1S/C18H32NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(19,15-20)24-25(21,22)23/h9-12,20H,2-8,13-15,19H2,1H3,(H2,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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: 3495-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.069 BindingDB Entry DOI: 10.7270/Q2SF2WRM
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50148399 (CHEMBL117130 | Phosphoric acid mono-[1-amino-1-hyd...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)OP(O)(O)=O)cc1 Show InChI InChI=1S/C18H32NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(19,15-20)24-25(21,22)23/h9-12,20H,2-8,13-15,19H2,1H3,(H2,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	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: 3495-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.069 BindingDB Entry DOI: 10.7270/Q2SF2WRM
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50148399 (CHEMBL117130 | Phosphoric acid mono-[1-amino-1-hyd...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)OP(O)(O)=O)cc1 Show InChI InChI=1S/C18H32NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(19,15-20)24-25(21,22)23/h9-12,20H,2-8,13-15,19H2,1H3,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	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: 3495-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.069 BindingDB Entry DOI: 10.7270/Q2SF2WRM
					More data for this Ligand-Target Pair