BDBM50169456 2-Amino-2-[5-(4-octyl-phenyl)-1H-imidazol-2-yl]-propane-1,3-diol; hydrochloride::CHEMBL537632

SMILES: CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(N)(CO)CO

InChI Key: InChIKey=AFOKUYNUCQYJRC-UHFFFAOYSA-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 = 50169456   

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))	BDBM50169456 (2-Amino-2-[5-(4-octyl-phenyl)-1H-imidazol-2-yl]-pr...) Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(N)(CO)CO Show InChI InChI=1S/C20H31N3O2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)18-13-22-19(23-18)20(21,14-24)15-25/h9-13,24-25H,2-8,14-15,21H2,1H3,(H,22,23)	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	5.10E+3	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 5 (Homo sapiens (Human))	BDBM50169456 (2-Amino-2-[5-(4-octyl-phenyl)-1H-imidazol-2-yl]-pr...) Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(N)(CO)CO Show InChI InChI=1S/C20H31N3O2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)18-13-22-19(23-18)20(21,14-24)15-25/h9-13,24-25H,2-8,14-15,21H2,1H3,(H,22,23)	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	6.70E+3	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
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50169456 (2-Amino-2-[5-(4-octyl-phenyl)-1H-imidazol-2-yl]-pr...) Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(N)(CO)CO Show InChI InChI=1S/C20H31N3O2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)18-13-22-19(23-18)20(21,14-24)15-25/h9-13,24-25H,2-8,14-15,21H2,1H3,(H,22,23)	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	660	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