BDBM50337599 (E/Z)-3-(3-(4-(3-phenylpropoxy)phenyl)allylamino)propanoic acid::CHEMBL1683045

SMILES: OC(=O)CCNC\C=C\c1ccc(OCCCc2ccccc2)cc1

InChI Key: InChIKey=BEUKFQKPJYSMAR-XBXARRHUSA-N

Data: 4 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 4 hits for monomerid = 50337599   

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))	BDBM50337599 ((E/Z)-3-(3-(4-(3-phenylpropoxy)phenyl)allylamino)p...) Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCc2ccccc2)cc1 Show InChI InChI=1S/C21H25NO3/c23-21(24)14-16-22-15-4-8-19-10-12-20(13-11-19)25-17-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-13,22H,5,9,14-17H2,(H,23,24)/b8-4+	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	70	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 1 (Homo sapiens (Human))	BDBM50337599 ((E/Z)-3-(3-(4-(3-phenylpropoxy)phenyl)allylamino)p...) Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCc2ccccc2)cc1 Show InChI InChI=1S/C21H25NO3/c23-21(24)14-16-22-15-4-8-19-10-12-20(13-11-19)25-17-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-13,22H,5,9,14-17H2,(H,23,24)/b8-4+	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	70	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: 3885-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.029 BindingDB Entry DOI: 10.7270/Q2NS0V7X
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50337599 ((E/Z)-3-(3-(4-(3-phenylpropoxy)phenyl)allylamino)p...) Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCc2ccccc2)cc1 Show InChI InChI=1S/C21H25NO3/c23-21(24)14-16-22-15-4-8-19-10-12-20(13-11-19)25-17-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-13,22H,5,9,14-17H2,(H,23,24)/b8-4+	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	3.30E+3	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: 3885-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.029 BindingDB Entry DOI: 10.7270/Q2NS0V7X
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50337599 ((E/Z)-3-(3-(4-(3-phenylpropoxy)phenyl)allylamino)p...) Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCc2ccccc2)cc1 Show InChI InChI=1S/C21H25NO3/c23-21(24)14-16-22-15-4-8-19-10-12-20(13-11-19)25-17-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-13,22H,5,9,14-17H2,(H,23,24)/b8-4+	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	3.30E+3	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