BDBM50337590 3-(3-(4-(4-phenylbutoxy)phenyl)propylamino)propanoic acid::CHEMBL1683043

SMILES: OC(=O)CCNCCCc1ccc(OCCCCc2ccccc2)cc1

InChI Key: InChIKey=COVOUULWQWTDBM-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 = 50337590   

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 1 (Homo sapiens (Human))	BDBM50337590 (3-(3-(4-(4-phenylbutoxy)phenyl)propylamino)propano...) Show SMILES OC(=O)CCNCCCc1ccc(OCCCCc2ccccc2)cc1 Show InChI InChI=1S/C22H29NO3/c24-22(25)15-17-23-16-6-10-20-11-13-21(14-12-20)26-18-5-4-9-19-7-2-1-3-8-19/h1-3,7-8,11-14,23H,4-6,9-10,15-18H2,(H,24,25)	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	1.50E+3	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels				Bioorg Med Chem Lett 21: 1390-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.029 BindingDB Entry DOI: 10.7270/Q26973VP
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50337590 (3-(3-(4-(4-phenylbutoxy)phenyl)propylamino)propano...) Show SMILES OC(=O)CCNCCCc1ccc(OCCCCc2ccccc2)cc1 Show InChI InChI=1S/C22H29NO3/c24-22(25)15-17-23-16-6-10-20-11-13-21(14-12-20)26-18-5-4-9-19-7-2-1-3-8-19/h1-3,7-8,11-14,23H,4-6,9-10,15-18H2,(H,24,25)	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	>1.00E+4	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium levels				Bioorg Med Chem Lett 21: 1390-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.029 BindingDB Entry DOI: 10.7270/Q26973VP
					More data for this Ligand-Target Pair