BDBM50147710 CHEMBL114976::CHEMBL115714::[(1S,3S)-3-Amino-1-hydroxy-5-(4-octyl-phenyl)-pentyl]-phosphonic acid

SMILES: CCCCCCCCc1ccc(CC[C@H](N)CC(=O)P(O)(O)O)cc1

InChI Key: InChIKey=NOMBGCXWXBTHTO-SFHVURJKSA-N

Data: 8 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 8 hits for monomerid = 50147710   

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))	BDBM50147710 (CHEMBL114976 | CHEMBL115714 | [(1S,3S)-3-Amino-1-h...) Show SMILES CCCCCCCCc1ccc(CC[C@H](N)CC(=O)P(O)(O)O)cc1 Show InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(20)15-19(21)25(22,23)24/h9-12,18,22-25H,2-8,13-15,20H2,1H3/t18-/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	500	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: 3351-5 (2004) Article DOI: 10.1016/j.bmcl.2004.02.106 BindingDB Entry DOI: 10.7270/Q2QN667K
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50147710 (CHEMBL114976 | CHEMBL115714 | [(1S,3S)-3-Amino-1-h...) Show SMILES CCCCCCCCc1ccc(CC[C@H](N)CC(=O)P(O)(O)O)cc1 Show InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(20)15-19(21)25(22,23)24/h9-12,18,22-25H,2-8,13-15,20H2,1H3/t18-/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	320	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: 3351-5 (2004) Article DOI: 10.1016/j.bmcl.2004.02.106 BindingDB Entry DOI: 10.7270/Q2QN667K
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50147710 (CHEMBL114976 | CHEMBL115714 | [(1S,3S)-3-Amino-1-h...) Show SMILES CCCCCCCCc1ccc(CC[C@H](N)CC(=O)P(O)(O)O)cc1 Show InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(20)15-19(21)25(22,23)24/h9-12,18,22-25H,2-8,13-15,20H2,1H3/t18-/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	15	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: 3351-5 (2004) Article DOI: 10.1016/j.bmcl.2004.02.106 BindingDB Entry DOI: 10.7270/Q2QN667K
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50147710 (CHEMBL114976 | CHEMBL115714 | [(1S,3S)-3-Amino-1-h...) Show SMILES CCCCCCCCc1ccc(CC[C@H](N)CC(=O)P(O)(O)O)cc1 Show InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(20)15-19(21)25(22,23)24/h9-12,18,22-25H,2-8,13-15,20H2,1H3/t18-/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	320	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: 3351-5 (2004) Article DOI: 10.1016/j.bmcl.2004.02.106 BindingDB Entry DOI: 10.7270/Q2QN667K
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50147710 (CHEMBL114976 | CHEMBL115714 | [(1S,3S)-3-Amino-1-h...) Show SMILES CCCCCCCCc1ccc(CC[C@H](N)CC(=O)P(O)(O)O)cc1 Show InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(20)15-19(21)25(22,23)24/h9-12,18,22-25H,2-8,13-15,20H2,1H3/t18-/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	880	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: 3351-5 (2004) Article DOI: 10.1016/j.bmcl.2004.02.106 BindingDB Entry DOI: 10.7270/Q2QN667K
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50147710 (CHEMBL114976 | CHEMBL115714 | [(1S,3S)-3-Amino-1-h...) Show SMILES CCCCCCCCc1ccc(CC[C@H](N)CC(=O)P(O)(O)O)cc1 Show InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(20)15-19(21)25(22,23)24/h9-12,18,22-25H,2-8,13-15,20H2,1H3/t18-/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	17	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: 3351-5 (2004) Article DOI: 10.1016/j.bmcl.2004.02.106 BindingDB Entry DOI: 10.7270/Q2QN667K
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50147710 (CHEMBL114976 | CHEMBL115714 | [(1S,3S)-3-Amino-1-h...) Show SMILES CCCCCCCCc1ccc(CC[C@H](N)CC(=O)P(O)(O)O)cc1 Show InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(20)15-19(21)25(22,23)24/h9-12,18,22-25H,2-8,13-15,20H2,1H3/t18-/m0/s1	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	73	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: 3351-5 (2004) Article DOI: 10.1016/j.bmcl.2004.02.106 BindingDB Entry DOI: 10.7270/Q2QN667K
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50147710 (CHEMBL114976 | CHEMBL115714 | [(1S,3S)-3-Amino-1-h...) Show SMILES CCCCCCCCc1ccc(CC[C@H](N)CC(=O)P(O)(O)O)cc1 Show InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(20)15-19(21)25(22,23)24/h9-12,18,22-25H,2-8,13-15,20H2,1H3/t18-/m0/s1	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	27	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: 3351-5 (2004) Article DOI: 10.1016/j.bmcl.2004.02.106 BindingDB Entry DOI: 10.7270/Q2QN667K
					More data for this Ligand-Target Pair