BDBM22227 (1S,2S)-2-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)cyclopropane-1-carboxylic acid::3-arylpropionic acid derivative, 18a

SMILES: CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(cc1C)[C@H]1C[C@@H]1C(O)=O

InChI Key: InChIKey=VNRPRIAXZVNSEY-SJORKVTESA-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 = 22227   

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))	BDBM22227 ((1S,2S)-2-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(tr...) Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(cc1C)[C@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H21F3N2O4/c1-11(2)31-19-7-5-14(9-18(19)23(24,25)26)21-27-20(28-32-21)15-6-4-13(8-12(15)3)16-10-17(16)22(29)30/h4-9,11,16-17H,10H2,1-3H3,(H,29,30)/t16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.210	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22227 ((1S,2S)-2-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(tr...) Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(cc1C)[C@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H21F3N2O4/c1-11(2)31-19-7-5-14(9-18(19)23(24,25)26)21-27-20(28-32-21)15-6-4-13(8-12(15)3)16-10-17(16)22(29)30/h4-9,11,16-17H,10H2,1-3H3,(H,29,30)/t16-,17+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.10	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM22227 ((1S,2S)-2-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(tr...) Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(cc1C)[C@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H21F3N2O4/c1-11(2)31-19-7-5-14(9-18(19)23(24,25)26)21-27-20(28-32-21)15-6-4-13(8-12(15)3)16-10-17(16)22(29)30/h4-9,11,16-17H,10H2,1-3H3,(H,29,30)/t16-,17+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	123	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair