BDBM50055552 CHEMBL3341929

SMILES: Cc1ccc(Cc2nc(co2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)cc1

InChI Key: InChIKey=JJWUZQCFSYPLRY-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 = 50055552   

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))	BDBM50055552 (CHEMBL3341929) Show SMILES Cc1ccc(Cc2nc(co2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H27N2O6P/c1-16-2-4-18(5-3-16)12-21-24-20(13-29-21)19-8-6-17(7-9-19)10-11-22(23,14-25)15-30-31(26,27)28/h2-9,13,25H,10-12,14-15,23H2,1H3,(H2,26,27,28)	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	>5.00E+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))	BDBM50055552 (CHEMBL3341929) Show SMILES Cc1ccc(Cc2nc(co2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H27N2O6P/c1-16-2-4-18(5-3-16)12-21-24-20(13-29-21)19-8-6-17(7-9-19)10-11-22(23,14-25)15-30-31(26,27)28/h2-9,13,25H,10-12,14-15,23H2,1H3,(H2,26,27,28)	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	108	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