BDBM50186380 3-(4-(5-(3-cyano-4-isopropoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)-3-methylphenyl)propanoic acid::CHEMBL211199

SMILES: CC(C)Oc1ccc(cc1C#N)-c1nnc(-c2ccc(CCC(O)=O)cc2C)n1C

InChI Key: InChIKey=RDXPJZVVZBKUFP-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 = 50186380   

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))	BDBM50186380 (3-(4-(5-(3-cyano-4-isopropoxyphenyl)-4-methyl-4H-1...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(-c2ccc(CCC(O)=O)cc2C)n1C Show InChI InChI=1S/C23H24N4O3/c1-14(2)30-20-9-7-17(12-18(20)13-24)22-25-26-23(27(22)4)19-8-5-16(11-15(19)3)6-10-21(28)29/h5,7-9,11-12,14H,6,10H2,1-4H3,(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	>1.00E+4	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
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50186380 (3-(4-(5-(3-cyano-4-isopropoxyphenyl)-4-methyl-4H-1...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(-c2ccc(CCC(O)=O)cc2C)n1C Show InChI InChI=1S/C23H24N4O3/c1-14(2)30-20-9-7-17(12-18(20)13-24)22-25-26-23(27(22)4)19-8-5-16(11-15(19)3)6-10-21(28)29/h5,7-9,11-12,14H,6,10H2,1-4H3,(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	>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 3 (Homo sapiens (Human))	BDBM50186380 (3-(4-(5-(3-cyano-4-isopropoxyphenyl)-4-methyl-4H-1...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(-c2ccc(CCC(O)=O)cc2C)n1C Show InChI InChI=1S/C23H24N4O3/c1-14(2)30-20-9-7-17(12-18(20)13-24)22-25-26-23(27(22)4)19-8-5-16(11-15(19)3)6-10-21(28)29/h5,7-9,11-12,14H,6,10H2,1-4H3,(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	>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