BDBM50055541 CHEMBL3342007

SMILES: NC(CO)(CCc1ccc(cc1)-c1cn(nn1)-c1ccc(OC(F)(F)F)cc1)COP(O)(O)=O

InChI Key: InChIKey=MGNDDFZWNSKXTJ-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 = 50055541   

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))	BDBM50055541 (CHEMBL3342007) Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(nn1)-c1ccc(OC(F)(F)F)cc1)COP(O)(O)=O Show InChI InChI=1S/C20H22F3N4O6P/c21-20(22,23)33-17-7-5-16(6-8-17)27-11-18(25-26-27)15-3-1-14(2-4-15)9-10-19(24,12-28)13-32-34(29,30)31/h1-8,11,28H,9-10,12-13,24H2,(H2,29,30,31)	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	1.22E+3	n/a	n/a	n/a	n/a
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay				Eur J Med Chem 85: 1-15 (2014) Article DOI: 10.1016/j.ejmech.2014.07.081 BindingDB Entry DOI: 10.7270/Q2X92D0T
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50055541 (CHEMBL3342007) Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(nn1)-c1ccc(OC(F)(F)F)cc1)COP(O)(O)=O Show InChI InChI=1S/C20H22F3N4O6P/c21-20(22,23)33-17-7-5-16(6-8-17)27-11-18(25-26-27)15-3-1-14(2-4-15)9-10-19(24,12-28)13-32-34(29,30)31/h1-8,11,28H,9-10,12-13,24H2,(H2,29,30,31)	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	15	n/a	n/a	n/a	n/a
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay				Eur J Med Chem 85: 1-15 (2014) Article DOI: 10.1016/j.ejmech.2014.07.081 BindingDB Entry DOI: 10.7270/Q2X92D0T
					More data for this Ligand-Target Pair