BDBM50152536 (S)-2-Amino-2-(6-octyl-1H-benzoimidazol-2-yl)-ethanol; TFA::CHEMBL186815

SMILES: CCCCCCCCc1ccc2nc([nH]c2c1)[C@H](N)CO

InChI Key: InChIKey=XKKHMNGIHWTYAT-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 = 50152536   

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 5 (Homo sapiens (Human))	BDBM50152536 ((S)-2-Amino-2-(6-octyl-1H-benzoimidazol-2-yl)-etha...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@H](N)CO Show InChI InChI=1S/C17H27N3O/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-21/h9-11,14,21H,2-8,12,18H2,1H3,(H,19,20)/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	390	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))	BDBM50152536 ((S)-2-Amino-2-(6-octyl-1H-benzoimidazol-2-yl)-etha...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@H](N)CO Show InChI InChI=1S/C17H27N3O/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-21/h9-11,14,21H,2-8,12,18H2,1H3,(H,19,20)/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	330	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
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50152536 ((S)-2-Amino-2-(6-octyl-1H-benzoimidazol-2-yl)-etha...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@H](N)CO Show InChI InChI=1S/C17H27N3O/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-21/h9-11,14,21H,2-8,12,18H2,1H3,(H,19,20)/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	1.60E+3	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