BDBM50335450 1-(4-(5-isobutylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acid::CHEMBL1651704

SMILES: CC(C)Cc1ccc2oc(cc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1

InChI Key: InChIKey=SKIYSJMDYYSHLN-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 = 50335450   

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))	BDBM50335450 (1-(4-(5-isobutylbenzofuran-2-yl)benzyl)azetidine-3...) Show SMILES CC(C)Cc1ccc2oc(cc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25NO3/c1-15(2)9-17-5-8-21-19(10-17)11-22(27-21)18-6-3-16(4-7-18)12-24-13-20(14-24)23(25)26/h3-8,10-11,15,20H,9,12-14H2,1-2H3,(H,25,26)	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	380	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))	BDBM50335450 (1-(4-(5-isobutylbenzofuran-2-yl)benzyl)azetidine-3...) Show SMILES CC(C)Cc1ccc2oc(cc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25NO3/c1-15(2)9-17-5-8-21-19(10-17)11-22(27-21)18-6-3-16(4-7-18)12-24-13-20(14-24)23(25)26/h3-8,10-11,15,20H,9,12-14H2,1-2H3,(H,25,26)	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	150	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))	BDBM50335450 (1-(4-(5-isobutylbenzofuran-2-yl)benzyl)azetidine-3...) Show SMILES CC(C)Cc1ccc2oc(cc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25NO3/c1-15(2)9-17-5-8-21-19(10-17)11-22(27-21)18-6-3-16(4-7-18)12-24-13-20(14-24)23(25)26/h3-8,10-11,15,20H,9,12-14H2,1-2H3,(H,25,26)	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	1.90E+3	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