BDBM50186937 1-(4-((5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl)methoxy)benzyl)azetidine-3-carboxylic acid::CHEMBL425428

SMILES: CC(C)Cc1ccc(cc1)-c1nc(COc2ccc(CN3CC(C3)C(O)=O)cc2)no1

InChI Key: InChIKey=UTXBVDDHKJIOBJ-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50186937   

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))	BDBM50186937 (1-(4-((5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl)m...) Show SMILES CC(C)Cc1ccc(cc1)-c1nc(COc2ccc(CN3CC(C3)C(O)=O)cc2)no1 Show InChI InChI=1S/C24H27N3O4/c1-16(2)11-17-3-7-19(8-4-17)23-25-22(26-31-23)15-30-21-9-5-18(6-10-21)12-27-13-20(14-27)24(28)29/h3-10,16,20H,11-15H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [33P]S1P binding to S1P1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3679-83 (2006) Article DOI: 10.1016/j.bmcl.2006.04.084 BindingDB Entry DOI: 10.7270/Q2J67GJ8
					More data for this Ligand-Target Pair