BDBM50186933 3-(4-(5-(5-(1,1-difluoro-2-methylpropyl)pyridin-2-yl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid::CHEMBL209567

SMILES: CC(C)C(F)(F)c1ccc(nc1)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C

InChI Key: InChIKey=MPJNTMGLPUJHMF-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 = 50186933   

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 3 (Homo sapiens (Human))	BDBM50186933 (3-(4-(5-(5-(1,1-difluoro-2-methylpropyl)pyridin-2-...) Show SMILES CC(C)C(F)(F)c1ccc(nc1)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C21H21F2N3O3/c1-12(2)21(22,23)15-6-8-17(24-11-15)20-25-19(26-29-20)16-7-4-14(10-13(16)3)5-9-18(27)28/h4,6-8,10-12H,5,9H2,1-3H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	470	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 5 (Homo sapiens (Human))	BDBM50186933 (3-(4-(5-(5-(1,1-difluoro-2-methylpropyl)pyridin-2-...) Show SMILES CC(C)C(F)(F)c1ccc(nc1)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C21H21F2N3O3/c1-12(2)21(22,23)15-6-8-17(24-11-15)20-25-19(26-29-20)16-7-4-14(10-13(16)3)5-9-18(27)28/h4,6-8,10-12H,5,9H2,1-3H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	820	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
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50186933 (3-(4-(5-(5-(1,1-difluoro-2-methylpropyl)pyridin-2-...) Show SMILES CC(C)C(F)(F)c1ccc(nc1)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C21H21F2N3O3/c1-12(2)21(22,23)15-6-8-17(24-11-15)20-25-19(26-29-20)16-7-4-14(10-13(16)3)5-9-18(27)28/h4,6-8,10-12H,5,9H2,1-3H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 4 (Homo sapiens (Human))	BDBM50186933 (3-(4-(5-(5-(1,1-difluoro-2-methylpropyl)pyridin-2-...) Show SMILES CC(C)C(F)(F)c1ccc(nc1)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C21H21F2N3O3/c1-12(2)21(22,23)15-6-8-17(24-11-15)20-25-19(26-29-20)16-7-4-14(10-13(16)3)5-9-18(27)28/h4,6-8,10-12H,5,9H2,1-3H3,(H,27,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 1 (Homo sapiens (Human))	BDBM50186933 (3-(4-(5-(5-(1,1-difluoro-2-methylpropyl)pyridin-2-...) Show SMILES CC(C)C(F)(F)c1ccc(nc1)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C21H21F2N3O3/c1-12(2)21(22,23)15-6-8-17(24-11-15)20-25-19(26-29-20)16-7-4-14(10-13(16)3)5-9-18(27)28/h4,6-8,10-12H,5,9H2,1-3H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.900	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