BDBM50133423 CHEMBL332050::Phosphoric acid mono-[(S)-2-amino-2-(4-octyl-phenylcarbamoyl)-ethyl] ester; TFA

SMILES: CCCCCCCCc1ccc(NC(=O)[C@@H](N)COP(O)(O)=O)cc1

InChI Key: InChIKey=MYSPJHRAIVKWQS-INIZCTEOSA-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 = 50133423   

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 5 (Homo sapiens (Human))	BDBM50133423 (CHEMBL332050 | Phosphoric acid mono-[(S)-2-amino-2...) Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)COP(O)(O)=O)cc1 Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand				Bioorg Med Chem Lett 13: 3401-4 (2003) BindingDB Entry DOI: 10.7270/Q29S1RMW
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50133423 (CHEMBL332050 | Phosphoric acid mono-[(S)-2-amino-2...) Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)COP(O)(O)=O)cc1 Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	82	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand				Bioorg Med Chem Lett 13: 3401-4 (2003) BindingDB Entry DOI: 10.7270/Q29S1RMW
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50133423 (CHEMBL332050 | Phosphoric acid mono-[(S)-2-amino-2...) Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)COP(O)(O)=O)cc1 Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human S1P3 receptor expressed in HEK293T cells using [gamma-35S]-GTP as radioligand				Bioorg Med Chem Lett 13: 3401-4 (2003) BindingDB Entry DOI: 10.7270/Q29S1RMW
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50133423 (CHEMBL332050 | Phosphoric acid mono-[(S)-2-amino-2...) Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)COP(O)(O)=O)cc1 Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	910	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand				Bioorg Med Chem Lett 13: 3401-4 (2003) BindingDB Entry DOI: 10.7270/Q29S1RMW
					More data for this Ligand-Target Pair