BDBM50198837 CHEMBL228103::[3-amino-4-(4-octylphenoxy)-butyl]-phosphonic acid

SMILES: CCCCCCc1ccc(OC[C@@H](N)CCP(O)(O)=O)cc1

InChI Key: InChIKey=WHPOXXOGXRRLNK-HNNXBMFYSA-N

Data: 3 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 3 hits for monomerid = 50198837   

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))	BDBM50198837 (CHEMBL228103 | [3-amino-4-(4-octylphenoxy)-butyl]-...) Show SMILES CCCCCCc1ccc(OC[C@@H](N)CCP(O)(O)=O)cc1 Show InChI InChI=1S/C16H28NO4P/c1-2-3-4-5-6-14-7-9-16(10-8-14)21-13-15(17)11-12-22(18,19)20/h7-10,15H,2-6,11-13,17H2,1H3,(H2,18,19,20)/t15-/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	68	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay				Bioorg Med Chem 15: 663-77 (2006) Article DOI: 10.1016/j.bmc.2006.10.060 BindingDB Entry DOI: 10.7270/Q2FN15VV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50198837 (CHEMBL228103 | [3-amino-4-(4-octylphenoxy)-butyl]-...) Show SMILES CCCCCCc1ccc(OC[C@@H](N)CCP(O)(O)=O)cc1 Show InChI InChI=1S/C16H28NO4P/c1-2-3-4-5-6-14-7-9-16(10-8-14)21-13-15(17)11-12-22(18,19)20/h7-10,15H,2-6,11-13,17H2,1H3,(H2,18,19,20)/t15-/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	31	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Activity at human S1P5 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay				Bioorg Med Chem 15: 663-77 (2006) Article DOI: 10.1016/j.bmc.2006.10.060 BindingDB Entry DOI: 10.7270/Q2FN15VV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50198837 (CHEMBL228103 | [3-amino-4-(4-octylphenoxy)-butyl]-...) Show SMILES CCCCCCc1ccc(OC[C@@H](N)CCP(O)(O)=O)cc1 Show InChI InChI=1S/C16H28NO4P/c1-2-3-4-5-6-14-7-9-16(10-8-14)21-13-15(17)11-12-22(18,19)20/h7-10,15H,2-6,11-13,17H2,1H3,(H2,18,19,20)/t15-/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	147	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Activity at human S1P4 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay				Bioorg Med Chem 15: 663-77 (2006) Article DOI: 10.1016/j.bmc.2006.10.060 BindingDB Entry DOI: 10.7270/Q2FN15VV
					More data for this Ligand-Target Pair