BDBM50133426 CHEMBL115344::Phosphoric acid mono-[(R)-2-amino-2-(4-hexyl-phenylcarbamoyl)-ethyl] ester; TFA

SMILES: CCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1

InChI Key: InChIKey=JQFBRAVKVRCQHJ-CQSZACIVSA-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 = 50133426   

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))	BDBM50133426 (CHEMBL115344 | Phosphoric acid mono-[(R)-2-amino-2...) Show SMILES CCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1 Show InChI InChI=1S/C15H25N2O5P/c1-2-3-4-5-6-12-7-9-13(10-8-12)17-15(18)14(16)11-22-23(19,20)21/h7-10,14H,2-6,11,16H2,1H3,(H,17,18)(H2,19,20,21)/t14-/m1/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	880	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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50133426 (CHEMBL115344 | Phosphoric acid mono-[(R)-2-amino-2...) Show SMILES CCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1 Show InChI InChI=1S/C15H25N2O5P/c1-2-3-4-5-6-12-7-9-13(10-8-12)17-15(18)14(16)11-22-23(19,20)21/h7-10,14H,2-6,11,16H2,1H3,(H,17,18)(H2,19,20,21)/t14-/m1/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	260	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 5 (Homo sapiens (Human))	BDBM50133426 (CHEMBL115344 | Phosphoric acid mono-[(R)-2-amino-2...) Show SMILES CCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1 Show InChI InChI=1S/C15H25N2O5P/c1-2-3-4-5-6-12-7-9-13(10-8-12)17-15(18)14(16)11-22-23(19,20)21/h7-10,14H,2-6,11,16H2,1H3,(H,17,18)(H2,19,20,21)/t14-/m1/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	43	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