BDBM50356268 CHEMBL1910791

SMILES: COCCN1C(=O)\C(S\C1=N/C)=C\c1cc(C)n(c1C)-c1ccc(F)cc1F

InChI Key: InChIKey=PLAQZKAMKVCOKM-ZGNGNRKCSA-N

Data: 1 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 1 hit for monomerid = 50356268   

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 4 (Homo sapiens (Human))	BDBM50356268 (CHEMBL1910791) Show SMILES COCCN1C(=O)\C(S\C1=N/C)=C\c1cc(C)n(c1C)-c1ccc(F)cc1F |(3.05,-30.48,;1.51,-30.48,;.75,-31.82,;-.79,-31.82,;-1.69,-33.07,;-1.2,-34.54,;.27,-35,;-2.44,-35.46,;-3.69,-34.55,;-3.23,-33.09,;-4.14,-31.85,;-5.69,-31.84,;-2.43,-37,;-3.75,-37.78,;-5.29,-37.78,;-5.76,-39.25,;-7.23,-39.73,;-4.51,-40.16,;-3.27,-39.24,;-1.94,-40.01,;-4.51,-41.7,;-5.84,-42.46,;-5.83,-44,;-4.5,-44.77,;-4.49,-46.31,;-3.16,-43.98,;-3.17,-42.45,;-1.85,-41.67,)| Show InChI InChI=1S/C20H21F2N3O2S/c1-12-9-14(13(2)25(12)17-6-5-15(21)11-16(17)22)10-18-19(26)24(7-8-27-4)20(23-3)28-18/h5-6,9-11H,7-8H2,1-4H3/b18-10-,23-20-	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	1.70E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses...				Bioorg Med Chem Lett 21: 6739-45 (2011) Article DOI: 10.1016/j.bmcl.2011.09.049 BindingDB Entry DOI: 10.7270/Q2736RBP
					More data for this Ligand-Target Pair