BDBM22203 1,2,4-oxadiazole based compound, 13::1-({4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}methyl)azetidine-3-carboxylic acid::1-{4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]benzyl}azetidine-3-carboxylic acid

SMILES: CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(CN2CC(C2)C(O)=O)cc1

InChI Key: InChIKey=OXYHNSKNRIYKDI-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 22203   

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))	BDBM22203 (1,2,4-oxadiazole based compound, 13 | 1-({4-[3-(4-...) Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-16(9-11-19)20-24-21(29-25-20)17-6-4-15(5-7-17)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM22203 (1,2,4-oxadiazole based compound, 13 | 1-({4-[3-(4-...) Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-16(9-11-19)20-24-21(29-25-20)17-6-4-15(5-7-17)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM22203 (1,2,4-oxadiazole based compound, 13 | 1-({4-[3-(4-...) Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-16(9-11-19)20-24-21(29-25-20)17-6-4-15(5-7-17)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P3R expressed in CHO cell membranes				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 5 (Homo sapiens (Human))	BDBM22203 (1,2,4-oxadiazole based compound, 13 | 1-({4-[3-(4-...) Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-16(9-11-19)20-24-21(29-25-20)17-6-4-15(5-7-17)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22203 (1,2,4-oxadiazole based compound, 13 | 1-({4-[3-(4-...) Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-16(9-11-19)20-24-21(29-25-20)17-6-4-15(5-7-17)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranes				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 4 (Homo sapiens (Human))	BDBM22203 (1,2,4-oxadiazole based compound, 13 | 1-({4-[3-(4-...) Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-16(9-11-19)20-24-21(29-25-20)17-6-4-15(5-7-17)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair