BDBM50055547 CHEMBL3341924

SMILES: CC(C)c1ccc(cc1)-c1nc(co1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1

InChI Key: InChIKey=LJOJKDPJECUQMO-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 = 50055547   

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))	BDBM50055547 (CHEMBL3341924) Show SMILES CC(C)c1ccc(cc1)-c1nc(co1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1 Show InChI InChI=1S/C23H29N2O6P/c1-16(2)18-7-9-20(10-8-18)22-25-21(13-30-22)19-5-3-17(4-6-19)11-12-23(24,14-26)15-31-32(27,28)29/h3-10,13,16,26H,11-12,14-15,24H2,1-2H3,(H2,27,28,29)	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	237	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))	BDBM50055547 (CHEMBL3341924) Show SMILES CC(C)c1ccc(cc1)-c1nc(co1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1 Show InChI InChI=1S/C23H29N2O6P/c1-16(2)18-7-9-20(10-8-18)22-25-21(13-30-22)19-5-3-17(4-6-19)11-12-23(24,14-26)15-31-32(27,28)29/h3-10,13,16,26H,11-12,14-15,24H2,1-2H3,(H2,27,28,29)	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	22	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