BDBM50364411 CHEMBL1950482

SMILES: OC(=O)c1ccc(-c2nc3ccc(nc3s2)C2(CC2)c2ccccc2)c(F)c1

InChI Key: InChIKey=QZEFMXVLUXINLH-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 = 50364411   

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))	BDBM50364411 (CHEMBL1950482) Show SMILES OC(=O)c1ccc(-c2nc3ccc(nc3s2)C2(CC2)c2ccccc2)c(F)c1 Show InChI InChI=1S/C22H15FN2O2S/c23-16-12-13(21(26)27)6-7-15(16)19-24-17-8-9-18(25-20(17)28-19)22(10-11-22)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,26,27)	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 chimeric Gq/i5 G-protein assessed as Ca2+ release by FLIPR assay				Bioorg Med Chem Lett 22: 1779-83 (2012) Article DOI: 10.1016/j.bmcl.2011.12.073 BindingDB Entry DOI: 10.7270/Q23R0TBJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50364411 (CHEMBL1950482) Show SMILES OC(=O)c1ccc(-c2nc3ccc(nc3s2)C2(CC2)c2ccccc2)c(F)c1 Show InChI InChI=1S/C22H15FN2O2S/c23-16-12-13(21(26)27)6-7-15(16)19-24-17-8-9-18(25-20(17)28-19)22(10-11-22)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,26,27)	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	2.82E+3	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based micr...				Bioorg Med Chem Lett 22: 1779-83 (2012) Article DOI: 10.1016/j.bmcl.2011.12.073 BindingDB Entry DOI: 10.7270/Q23R0TBJ
					More data for this Ligand-Target Pair