BDBM50169452 (S)-2-Amino-2-[5-(4-octyl-phenyl)-1H-imidazol-2-yl]-ethanol; TFA::CHEMBL190529

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

InChI Key: InChIKey=BMBOFXBZVKKLHG-QGZVFWFLSA-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 = 50169452   

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))	BDBM50169452 ((S)-2-Amino-2-[5-(4-octyl-phenyl)-1H-imidazol-2-yl...) Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@H](N)CO Show InChI InChI=1S/C19H29N3O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-23/h9-13,17,23H,2-8,14,20H2,1H3,(H,21,22)/t17-/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	7.40E+3	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))	BDBM50169452 ((S)-2-Amino-2-[5-(4-octyl-phenyl)-1H-imidazol-2-yl...) Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@H](N)CO Show InChI InChI=1S/C19H29N3O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-23/h9-13,17,23H,2-8,14,20H2,1H3,(H,21,22)/t17-/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	860	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 3 (Homo sapiens (Human))	BDBM50169452 ((S)-2-Amino-2-[5-(4-octyl-phenyl)-1H-imidazol-2-yl...) Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@H](N)CO Show InChI InChI=1S/C19H29N3O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-23/h9-13,17,23H,2-8,14,20H2,1H3,(H,21,22)/t17-/m1/s1	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	2.70E+3	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Effective concentration against sphingosine 1-phosphate receptor 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 1 (Homo sapiens (Human))	BDBM50169452 ((S)-2-Amino-2-[5-(4-octyl-phenyl)-1H-imidazol-2-yl...) Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@H](N)CO Show InChI InChI=1S/C19H29N3O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-23/h9-13,17,23H,2-8,14,20H2,1H3,(H,21,22)/t17-/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	2.70E+3	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Effective concentration against sphingosine-1-phosphate receptor 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