BDBM50361880 CHEMBL1938926

SMILES: OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C3(CC3)c3ccccn3)c(F)c2)C1

InChI Key: InChIKey=YAEJSOIIAJFYAA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50361880   

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))	BDBM50361880 (CHEMBL1938926) Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C3(CC3)c3ccccn3)c(F)c2)C1 Show InChI InChI=1S/C26H22FN3O2S/c27-20-11-16(13-30-14-17(15-30)25(31)32)4-6-19(20)24-29-21-7-5-18(12-22(21)33-24)26(8-9-26)23-3-1-2-10-28-23/h1-7,10-12,17H,8-9,13-15H2,(H,31,32)	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	240	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...				Bioorg Med Chem Lett 22: 628-33 (2011) Article DOI: 10.1016/j.bmcl.2011.10.069 BindingDB Entry DOI: 10.7270/Q2T72HW3
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50361880 (CHEMBL1938926) Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C3(CC3)c3ccccn3)c(F)c2)C1 Show InChI InChI=1S/C26H22FN3O2S/c27-20-11-16(13-30-14-17(15-30)25(31)32)4-6-19(20)24-29-21-7-5-18(12-22(21)33-24)26(8-9-26)23-3-1-2-10-28-23/h1-7,10-12,17H,8-9,13-15H2,(H,31,32)	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	>2.50E+4	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay				Bioorg Med Chem Lett 22: 628-33 (2011) Article DOI: 10.1016/j.bmcl.2011.10.069 BindingDB Entry DOI: 10.7270/Q2T72HW3
					More data for this Ligand-Target Pair