BDBM50152537 CHEMBL361915::Phosphoric acid mono-[(S)-2-amino-2-(6-octyl-1H-benzoimidazol-2-yl)-ethyl] ester; TFA methyl ester

SMILES: CCCCCCCCc1ccc2nc([nH]c2c1)[C@H](N)COP(O)(O)=O

InChI Key: InChIKey=FZEKCWYSFVMPDZ-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 = 50152537   

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))	BDBM50152537 (CHEMBL361915 | Phosphoric acid mono-[(S)-2-amino-2...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@H](N)COP(O)(O)=O Show InChI InChI=1S/C17H28N3O4P/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-24-25(21,22)23/h9-11,14H,2-8,12,18H2,1H3,(H,19,20)(H2,21,22,23)/t14-/m1/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	36	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 was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50152537 (CHEMBL361915 | Phosphoric acid mono-[(S)-2-amino-2...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@H](N)COP(O)(O)=O Show InChI InChI=1S/C17H28N3O4P/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-24-25(21,22)23/h9-11,14H,2-8,12,18H2,1H3,(H,19,20)(H2,21,22,23)/t14-/m1/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	8.20	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 was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50152537 (CHEMBL361915 | Phosphoric acid mono-[(S)-2-amino-2...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@H](N)COP(O)(O)=O Show InChI InChI=1S/C17H28N3O4P/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-24-25(21,22)23/h9-11,14H,2-8,12,18H2,1H3,(H,19,20)(H2,21,22,23)/t14-/m1/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	21	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 was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair