BDBM50361876 CHEMBL1938922

SMILES: OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccn5)ccc4s3)c(F)c2)C1

InChI Key: InChIKey=LUKHRLXUFGNPKH-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 = 50361876   

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))	BDBM50361876 (CHEMBL1938922) Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccn5)ccc4s3)c(F)c2)C1 Show InChI InChI=1S/C24H20FN3O2S/c25-20-10-16(12-28-13-17(14-28)24(29)30)4-6-19(20)23-27-21-11-15(5-7-22(21)31-23)9-18-3-1-2-8-26-18/h1-8,10-11,17H,9,12-14H2,(H,29,30)	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	680	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))	BDBM50361876 (CHEMBL1938922) Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccn5)ccc4s3)c(F)c2)C1 Show InChI InChI=1S/C24H20FN3O2S/c25-20-10-16(12-28-13-17(14-28)24(29)30)4-6-19(20)23-27-21-11-15(5-7-22(21)31-23)9-18-3-1-2-8-26-18/h1-8,10-11,17H,9,12-14H2,(H,29,30)	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	>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