null

SMILES: CCc1c(CCN(C)CC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F

InChI Key: InChIKey=NTEKWRTXASZMHF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50420111   

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))	BDBM50420111 (CHEMBL2059684) Show SMILES CCc1c(CCN(C)CC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C25H28F3N3O3S/c1-5-18-16(11-12-31(4)14-22(32)33)7-6-8-19(18)23-29-24(35-30-23)17-9-10-21(34-15(2)3)20(13-17)25(26,27)28/h6-10,13,15H,5,11-12,14H2,1-4H3,(H,32,33)	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	>3.16E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity against S1P3 receptor by cell based FRET assay				J Med Chem 55: 4286-96 (2012) Article DOI: 10.1021/jm2016107 BindingDB Entry DOI: 10.7270/Q2F190SQ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50420111 (CHEMBL2059684) Show SMILES CCc1c(CCN(C)CC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C25H28F3N3O3S/c1-5-18-16(11-12-31(4)14-22(32)33)7-6-8-19(18)23-29-24(35-30-23)17-9-10-21(34-15(2)3)20(13-17)25(26,27)28/h6-10,13,15H,5,11-12,14H2,1-4H3,(H,32,33)	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	0.0200	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity against S1P1 receptor by cell based FRET assay				J Med Chem 55: 4286-96 (2012) Article DOI: 10.1021/jm2016107 BindingDB Entry DOI: 10.7270/Q2F190SQ
					More data for this Ligand-Target Pair