BDBM36817 ((4-Fluoro-phenyl)-{2-[5-(3-methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetyl}-amino)-acetic acid ethyl ester::2-(4-fluoro-N-[2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-oxoethyl]anilino)acetic acid ethyl ester::2-(4-fluoro-N-[2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]anilino)acetic acid ethyl ester::MLS000029497::SMR000002373::cid_644711::ethyl 2-(4-fluoro-N-[2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate::ethyl 2-[(4-fluorophenyl)-[2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoyl]amino]ethanoate

SMILES: CCOC(=O)CN(C(=O)CSc1nnc(o1)-c1cccc(OC)c1)c1ccc(F)cc1

InChI Key: InChIKey=ZWUDKHJUAKYIJY-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 = 36817   

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))	BDBM36817 (((4-Fluoro-phenyl)-{2-[5-(3-methoxy-phenyl)-[1,3,4...) Show SMILES CCOC(=O)CN(C(=O)CSc1nnc(o1)-c1cccc(OC)c1)c1ccc(F)cc1 Show InChI InChI=1S/C21H20FN3O5S/c1-3-29-19(27)12-25(16-9-7-15(22)8-10-16)18(26)13-31-21-24-23-20(30-21)14-5-4-6-17(11-14)28-2/h4-11H,3,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.51E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25X2795
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36817 (((4-Fluoro-phenyl)-{2-[5-(3-methoxy-phenyl)-[1,3,4...) Show SMILES CCOC(=O)CN(C(=O)CSc1nnc(o1)-c1cccc(OC)c1)c1ccc(F)cc1 Show InChI InChI=1S/C21H20FN3O5S/c1-3-29-19(27)12-25(16-9-7-15(22)8-10-16)18(26)13-31-21-24-23-20(30-21)14-5-4-6-17(11-14)28-2/h4-11H,3,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36817 (((4-Fluoro-phenyl)-{2-[5-(3-methoxy-phenyl)-[1,3,4...) Show SMILES CCOC(=O)CN(C(=O)CSc1nnc(o1)-c1cccc(OC)c1)c1ccc(F)cc1 Show InChI InChI=1S/C21H20FN3O5S/c1-3-29-19(27)12-25(16-9-7-15(22)8-10-16)18(26)13-31-21-24-23-20(30-21)14-5-4-6-17(11-14)28-2/h4-11H,3,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.17E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2251GJ9
					More data for this Ligand-Target Pair