BDBM50335452 1-(4-(5-(pyridin-3-yl)benzofuran-2-yl)benzyl)azetidine-3-carboxylic acid::CHEMBL1651706

SMILES: OC(=O)C1CN(Cc2ccc(cc2)-c2cc3cc(ccc3o2)-c2cccnc2)C1

InChI Key: InChIKey=ZJMZEWHLHVCIQJ-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 = 50335452   

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))	BDBM50335452 (1-(4-(5-(pyridin-3-yl)benzofuran-2-yl)benzyl)azeti...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2cc3cc(ccc3o2)-c2cccnc2)C1 Show InChI InChI=1S/C24H20N2O3/c27-24(28)21-14-26(15-21)13-16-3-5-17(6-4-16)23-11-20-10-18(7-8-22(20)29-23)19-2-1-9-25-12-19/h1-12,21H,13-15H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				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 1 (Homo sapiens (Human))	BDBM50335452 (1-(4-(5-(pyridin-3-yl)benzofuran-2-yl)benzyl)azeti...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2cc3cc(ccc3o2)-c2cccnc2)C1 Show InChI InChI=1S/C24H20N2O3/c27-24(28)21-14-26(15-21)13-16-3-5-17(6-4-16)23-11-20-10-18(7-8-22(20)29-23)19-2-1-9-25-12-19/h1-12,21H,13-15H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	5.03E+3	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))	BDBM50335452 (1-(4-(5-(pyridin-3-yl)benzofuran-2-yl)benzyl)azeti...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2cc3cc(ccc3o2)-c2cccnc2)C1 Show InChI InChI=1S/C24H20N2O3/c27-24(28)21-14-26(15-21)13-16-3-5-17(6-4-16)23-11-20-10-18(7-8-22(20)29-23)19-2-1-9-25-12-19/h1-12,21H,13-15H2,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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