BDBM50249261 (S)-2-amino-3-(4-(2-(2'-cyanobiphenyl-4-yl)ethoxy)phenylamino)-2-methyl-3-oxopropyl dihydrogen phosphate::CHEMBL475247

SMILES: C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2C#N)cc1

InChI Key: InChIKey=BTUGHBMTIVGDKM-VWLOTQADSA-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 = 50249261   

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))	BDBM50249261 ((S)-2-amino-3-(4-(2-(2'-cyanobiphenyl-4-yl)ethoxy)...) Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2C#N)cc1 |r| Show InChI InChI=1S/C25H26N3O6P/c1-25(27,17-34-35(30,31)32)24(29)28-21-10-12-22(13-11-21)33-15-14-18-6-8-19(9-7-18)23-5-3-2-4-20(23)16-26/h2-13H,14-15,17,27H2,1H3,(H,28,29)(H2,30,31,32)/t25-/m0/s1	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	1.04E+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))	BDBM50249261 ((S)-2-amino-3-(4-(2-(2'-cyanobiphenyl-4-yl)ethoxy)...) Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2C#N)cc1 |r| Show InChI InChI=1S/C25H26N3O6P/c1-25(27,17-34-35(30,31)32)24(29)28-21-10-12-22(13-11-21)33-15-14-18-6-8-19(9-7-18)23-5-3-2-4-20(23)16-26/h2-13H,14-15,17,27H2,1H3,(H,28,29)(H2,30,31,32)/t25-/m0/s1	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	12	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