BDBM50249264 (S)-2-amino-3-(4-(4-(biphenyl-4-yl)butoxy)phenylamino)-2-methyl-3-oxopropyl dihydrogen phosphate::CHEMBL475253

SMILES: C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCc2ccc(cc2)-c2ccccc2)cc1

InChI Key: InChIKey=XGFCNYXSOCFJIR-SANMLTNESA-N

Data: 4 IC50  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 6 hits for monomerid = 50249264   

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))	BDBM50249264 ((S)-2-amino-3-(4-(4-(biphenyl-4-yl)butoxy)phenylam...) Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H31N2O6P/c1-26(27,19-34-35(30,31)32)25(29)28-23-14-16-24(17-15-23)33-18-6-5-7-20-10-12-22(13-11-20)21-8-3-2-4-9-21/h2-4,8-17H,5-7,18-19,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/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	6.90	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
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50249264 ((S)-2-amino-3-(4-(4-(biphenyl-4-yl)butoxy)phenylam...) Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H31N2O6P/c1-26(27,19-34-35(30,31)32)25(29)28-23-14-16-24(17-15-23)33-18-6-5-7-20-10-12-22(13-11-20)21-8-3-2-4-9-21/h2-4,8-17H,5-7,18-19,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/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	10.2	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 5 (Homo sapiens (Human))	BDBM50249264 ((S)-2-amino-3-(4-(4-(biphenyl-4-yl)butoxy)phenylam...) Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H31N2O6P/c1-26(27,19-34-35(30,31)32)25(29)28-23-14-16-24(17-15-23)33-18-6-5-7-20-10-12-22(13-11-20)21-8-3-2-4-9-21/h2-4,8-17H,5-7,18-19,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	99.8	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 S1P5 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 3 (Homo sapiens (Human))	BDBM50249264 ((S)-2-amino-3-(4-(4-(biphenyl-4-yl)butoxy)phenylam...) Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H31N2O6P/c1-26(27,19-34-35(30,31)32)25(29)28-23-14-16-24(17-15-23)33-18-6-5-7-20-10-12-22(13-11-20)21-8-3-2-4-9-21/h2-4,8-17H,5-7,18-19,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/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	n/a	n/a	28.8	n/a	n/a	n/a	n/a
Praecis Pharmaceuticals Inc Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as stimulation of [35S]GTPgammaS binding				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 4 (Homo sapiens (Human))	BDBM50249264 ((S)-2-amino-3-(4-(4-(biphenyl-4-yl)butoxy)phenylam...) Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H31N2O6P/c1-26(27,19-34-35(30,31)32)25(29)28-23-14-16-24(17-15-23)33-18-6-5-7-20-10-12-22(13-11-20)21-8-3-2-4-9-21/h2-4,8-17H,5-7,18-19,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24.8	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 S1P4 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))	BDBM50249264 ((S)-2-amino-3-(4-(4-(biphenyl-4-yl)butoxy)phenylam...) Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H31N2O6P/c1-26(27,19-34-35(30,31)32)25(29)28-23-14-16-24(17-15-23)33-18-6-5-7-20-10-12-22(13-11-20)21-8-3-2-4-9-21/h2-4,8-17H,5-7,18-19,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/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	n/a	n/a	2.67	n/a	n/a	n/a	n/a
Praecis Pharmaceuticals Inc Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding				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