BDBM50169453 CHEMBL364950::Thiophosphoric acid 2-amino-2-[5-(4-octyl-phenyl)-1H-imidazol-2-yl]-propyl ester; TFA

SMILES: CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(C)(N)COP(O)(O)=S

InChI Key: InChIKey=BMWHKUCAPSSVAZ-UHFFFAOYSA-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 = 50169453   

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))	BDBM50169453 (CHEMBL364950 | Thiophosphoric acid 2-amino-2-[5-(4...) Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(C)(N)COP(O)(O)=S Show InChI InChI=1S/C20H32N3O3PS/c1-3-4-5-6-7-8-9-16-10-12-17(13-11-16)18-14-22-19(23-18)20(2,21)15-26-27(24,25)28/h10-14H,3-9,15,21H2,1-2H3,(H,22,23)(H2,24,25,28)	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	9.80	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay				Bioorg Med Chem Lett 15: 3568-72 (2005) Article DOI: 10.1016/j.bmcl.2005.05.097 BindingDB Entry DOI: 10.7270/Q2RF5VSG
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50169453 (CHEMBL364950 | Thiophosphoric acid 2-amino-2-[5-(4...) Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(C)(N)COP(O)(O)=S Show InChI InChI=1S/C20H32N3O3PS/c1-3-4-5-6-7-8-9-16-10-12-17(13-11-16)18-14-22-19(23-18)20(2,21)15-26-27(24,25)28/h10-14H,3-9,15,21H2,1-2H3,(H,22,23)(H2,24,25,28)	PDB 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	1.60E+3	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Effective concentration against sphingosine 1-phosphate receptor 3 determined by a [c-35S]-GTP binding assay				Bioorg Med Chem Lett 15: 3568-72 (2005) Article DOI: 10.1016/j.bmcl.2005.05.097 BindingDB Entry DOI: 10.7270/Q2RF5VSG
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50169453 (CHEMBL364950 | Thiophosphoric acid 2-amino-2-[5-(4...) Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(C)(N)COP(O)(O)=S Show InChI InChI=1S/C20H32N3O3PS/c1-3-4-5-6-7-8-9-16-10-12-17(13-11-16)18-14-22-19(23-18)20(2,21)15-26-27(24,25)28/h10-14H,3-9,15,21H2,1-2H3,(H,22,23)(H2,24,25,28)	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	170	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Effective concentration against sphingosine 1-phosphate receptor 4 determined by a [c-35S]-GTP binding assay				Bioorg Med Chem Lett 15: 3568-72 (2005) Article DOI: 10.1016/j.bmcl.2005.05.097 BindingDB Entry DOI: 10.7270/Q2RF5VSG
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50169453 (CHEMBL364950 | Thiophosphoric acid 2-amino-2-[5-(4...) Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(C)(N)COP(O)(O)=S Show InChI InChI=1S/C20H32N3O3PS/c1-3-4-5-6-7-8-9-16-10-12-17(13-11-16)18-14-22-19(23-18)20(2,21)15-26-27(24,25)28/h10-14H,3-9,15,21H2,1-2H3,(H,22,23)(H2,24,25,28)	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	51	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Effective concentration against sphingosine 1-phosphate receptor 5 determined by a [c-35S]-GTP binding assay				Bioorg Med Chem Lett 15: 3568-72 (2005) Article DOI: 10.1016/j.bmcl.2005.05.097 BindingDB Entry DOI: 10.7270/Q2RF5VSG
					More data for this Ligand-Target Pair