BDBM50335464 1-(4-(5-(cyclopentylmethoxy)benzofuran-2-yl)-3-fluorobenzyl)azetidine-3-carboxylic acid::CHEMBL1651719

SMILES: OC(=O)C1CN(Cc2ccc(-c3cc4cc(OCC5CCCC5)ccc4o3)c(F)c2)C1

InChI Key: InChIKey=FRFMAYDLFUKCGC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50335464   

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))	BDBM50335464 (1-(4-(5-(cyclopentylmethoxy)benzofuran-2-yl)-3-flu...) Show SMILES OC(=O)C1CN(Cc2ccc(-c3cc4cc(OCC5CCCC5)ccc4o3)c(F)c2)C1 Show InChI InChI=1S/C25H26FNO4/c26-22-9-17(12-27-13-19(14-27)25(28)29)5-7-21(22)24-11-18-10-20(6-8-23(18)31-24)30-15-16-3-1-2-4-16/h5-11,16,19H,1-4,12-15H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	454	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy				ACS Med Chem Lett 2: 97-101 (2011) Article DOI: 10.1021/ml100227q BindingDB Entry DOI: 10.7270/Q2WM1DP6
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50335464 (1-(4-(5-(cyclopentylmethoxy)benzofuran-2-yl)-3-flu...) Show SMILES OC(=O)C1CN(Cc2ccc(-c3cc4cc(OCC5CCCC5)ccc4o3)c(F)c2)C1 Show InChI InChI=1S/C25H26FNO4/c26-22-9-17(12-27-13-19(14-27)25(28)29)5-7-21(22)24-11-18-10-20(6-8-23(18)31-24)30-15-16-3-1-2-4-16/h5-11,16,19H,1-4,12-15H2,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay				ACS Med Chem Lett 2: 97-101 (2011) Article DOI: 10.1021/ml100227q BindingDB Entry DOI: 10.7270/Q2WM1DP6
					More data for this Ligand-Target Pair