BDBM50186381 3-(4-(5-(3-cyano-4-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)-3-methylphenyl)propanoic acid::CHEMBL379589

SMILES: CC(C)Oc1ccc(cc1C#N)-c1nnc([nH]1)-c1ccc(CCC(O)=O)cc1C

InChI Key: InChIKey=NHBYPAOUTOGPSB-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 = 50186381   

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))	BDBM50186381 (3-(4-(5-(3-cyano-4-isopropoxyphenyl)-4H-1,2,4-tria...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc([nH]1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C22H22N4O3/c1-13(2)29-19-8-6-16(11-17(19)12-23)21-24-22(26-25-21)18-7-4-15(10-14(18)3)5-9-20(27)28/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,27,28)(H,24,25,26)	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	>1.00E+4	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding				Bioorg Med Chem Lett 16: 3684-7 (2006) Article DOI: 10.1016/j.bmcl.2006.04.064 BindingDB Entry DOI: 10.7270/Q2HD7V7J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50186381 (3-(4-(5-(3-cyano-4-isopropoxyphenyl)-4H-1,2,4-tria...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc([nH]1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C22H22N4O3/c1-13(2)29-19-8-6-16(11-17(19)12-23)21-24-22(26-25-21)18-7-4-15(10-14(18)3)5-9-20(27)28/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,27,28)(H,24,25,26)	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	>1.00E+4	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding				Bioorg Med Chem Lett 16: 3684-7 (2006) Article DOI: 10.1016/j.bmcl.2006.04.064 BindingDB Entry DOI: 10.7270/Q2HD7V7J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50186381 (3-(4-(5-(3-cyano-4-isopropoxyphenyl)-4H-1,2,4-tria...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc([nH]1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C22H22N4O3/c1-13(2)29-19-8-6-16(11-17(19)12-23)21-24-22(26-25-21)18-7-4-15(10-14(18)3)5-9-20(27)28/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,27,28)(H,24,25,26)	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	380	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding				Bioorg Med Chem Lett 16: 3684-7 (2006) Article DOI: 10.1016/j.bmcl.2006.04.064 BindingDB Entry DOI: 10.7270/Q2HD7V7J
					More data for this Ligand-Target Pair