BDBM50249112 (S)-2-amino-2-methyl-3-oxo-3-(4-(4-(thiophen-2-yl)phenethoxy)phenylamino)propyl dihydrogen phosphate::CHEMBL473016

SMILES: C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2cccs2)cc1

InChI Key: InChIKey=ZNOXQVCFFIUBDB-QFIPXVFZSA-N

Data: 2 IC50

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 = 50249112   

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))	BDBM50249112 ((S)-2-amino-2-methyl-3-oxo-3-(4-(4-(thiophen-2-yl)...) Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2cccs2)cc1 |r| Show InChI InChI=1S/C22H25N2O6PS/c1-22(23,15-30-31(26,27)28)21(25)24-18-8-10-19(11-9-18)29-13-12-16-4-6-17(7-5-16)20-3-2-14-32-20/h2-11,14H,12-13,15,23H2,1H3,(H,24,25)(H2,26,27,28)/t22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Praecis Pharmaceuticals Inc Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor				Bioorg Med Chem Lett 19: 2315-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50249112 ((S)-2-amino-2-methyl-3-oxo-3-(4-(4-(thiophen-2-yl)...) Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2cccs2)cc1 |r| Show InChI InChI=1S/C22H25N2O6PS/c1-22(23,15-30-31(26,27)28)21(25)24-18-8-10-19(11-9-18)29-13-12-16-4-6-17(7-5-16)20-3-2-14-32-20/h2-11,14H,12-13,15,23H2,1H3,(H,24,25)(H2,26,27,28)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Praecis Pharmaceuticals Inc Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor				Bioorg Med Chem Lett 19: 2315-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ
					More data for this Ligand-Target Pair