BDBM50186931 3-(4-(5-(5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-yl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid::CHEMBL209484

SMILES: CC(Oc1ncc(cc1Cl)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C)C(F)(F)F

InChI Key: InChIKey=RZYDSGOZSVUMSW-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50186931   

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))	BDBM50186931 (3-(4-(5-(5-chloro-6-(1,1,1-trifluoropropan-2-yloxy...) Show SMILES CC(Oc1ncc(cc1Cl)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C)C(F)(F)F Show InChI InChI=1S/C20H17ClF3N3O4/c1-10-7-12(4-6-16(28)29)3-5-14(10)17-26-18(31-27-17)13-8-15(21)19(25-9-13)30-11(2)20(22,23)24/h3,5,7-9,11H,4,6H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake				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
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50186931 (3-(4-(5-(5-chloro-6-(1,1,1-trifluoropropan-2-yloxy...) Show SMILES CC(Oc1ncc(cc1Cl)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C)C(F)(F)F Show InChI InChI=1S/C20H17ClF3N3O4/c1-10-7-12(4-6-16(28)29)3-5-14(10)17-26-18(31-27-17)13-8-15(21)19(25-9-13)30-11(2)20(22,23)24/h3,5,7-9,11H,4,6H2,1-2H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity at S1P2 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake				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
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50186931 (3-(4-(5-(5-chloro-6-(1,1,1-trifluoropropan-2-yloxy...) Show SMILES CC(Oc1ncc(cc1Cl)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C)C(F)(F)F Show InChI InChI=1S/C20H17ClF3N3O4/c1-10-7-12(4-6-16(28)29)3-5-14(10)17-26-18(31-27-17)13-8-15(21)19(25-9-13)30-11(2)20(22,23)24/h3,5,7-9,11H,4,6H2,1-2H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at S1P3 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake				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
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50186931 (3-(4-(5-(5-chloro-6-(1,1,1-trifluoropropan-2-yloxy...) Show SMILES CC(Oc1ncc(cc1Cl)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C)C(F)(F)F Show InChI InChI=1S/C20H17ClF3N3O4/c1-10-7-12(4-6-16(28)29)3-5-14(10)17-26-18(31-27-17)13-8-15(21)19(25-9-13)30-11(2)20(22,23)24/h3,5,7-9,11H,4,6H2,1-2H3,(H,28,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity at S1P4 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake				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
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50186931 (3-(4-(5-(5-chloro-6-(1,1,1-trifluoropropan-2-yloxy...) Show SMILES CC(Oc1ncc(cc1Cl)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C)C(F)(F)F Show InChI InChI=1S/C20H17ClF3N3O4/c1-10-7-12(4-6-16(28)29)3-5-14(10)17-26-18(31-27-17)13-8-15(21)19(25-9-13)30-11(2)20(22,23)24/h3,5,7-9,11H,4,6H2,1-2H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at S1P5 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake				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