Compile Data Set for Download or QSAR

Found 207 hits with Last Name = 'parent' and Initial = 'sa'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50158348 ((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r| Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM23163 (CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1 Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22218 (1,2,4-oxadiazole based compound, 35 | 1-[(4-{5-[4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(CCC(F)(F)F)cc2)C1 Show InChI InChI=1S/C22H20F3N3O3/c23-22(24,25)10-9-14-1-7-17(8-2-14)20-26-19(27-31-20)16-5-3-15(4-6-16)11-28-12-18(13-28)21(29)30/h1-8,18H,9-13H2,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50158348 ((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r| Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22220 (1,2,4-oxadiazole based compound, 37 | 1-{[4-(5-{4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)[C@@H]2CCC(F)(F)C2)C1 |r| Show InChI InChI=1S/C24H23F2N3O3/c25-24(26)10-9-19(11-24)16-5-7-18(8-6-16)22-27-21(28-32-22)17-3-1-15(2-4-17)12-29-13-20(14-29)23(30)31/h1-8,19-20H,9-14H2,(H,30,31)/t19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22215 (1,2,4-oxadiazole based compound, 32 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCCC2)C1 Show InChI InChI=1S/C24H25N3O3/c28-24(29)21-14-27(15-21)13-16-5-7-19(8-6-16)22-25-23(30-26-22)20-11-9-18(10-12-20)17-3-1-2-4-17/h5-12,17,21H,1-4,13-15H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22218 (1,2,4-oxadiazole based compound, 35 | 1-[(4-{5-[4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(CCC(F)(F)F)cc2)C1 Show InChI InChI=1S/C22H20F3N3O3/c23-22(24,25)10-9-14-1-7-17(8-2-14)20-26-19(27-31-20)16-5-3-15(4-6-16)11-28-12-18(13-28)21(29)30/h1-8,18H,9-13H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22219 (1,2,4-oxadiazole based compound, 36 | 1-{[4-(5-{4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)[C@H]2CCC(F)(F)C2)C1 |r| Show InChI InChI=1S/C24H23F2N3O3/c25-24(26)10-9-19(11-24)16-5-7-18(8-6-16)22-27-21(28-32-22)17-3-1-15(2-4-17)12-29-13-20(14-29)23(30)31/h1-8,19-20H,9-14H2,(H,30,31)/t19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22215 (1,2,4-oxadiazole based compound, 32 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCCC2)C1 Show InChI InChI=1S/C24H25N3O3/c28-24(29)21-14-27(15-21)13-16-5-7-19(8-6-16)22-25-23(30-26-22)20-11-9-18(10-12-20)17-3-1-2-4-17/h5-12,17,21H,1-4,13-15H2,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50158348 ((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r| Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22209 (1,2,4-oxadiazole based compound, 26 | 1-[(4-{5-[4-...) Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-15(2)11-16-3-9-19(10-4-16)22-24-21(25-29-22)18-7-5-17(6-8-18)12-26-13-20(14-26)23(27)28/h3-10,15,20H,11-14H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50158348 ((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r| Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM23163 (CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1 Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22216 (1,2,4-oxadiazole based compound, 33 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCCCC2)C1 Show InChI InChI=1S/C25H27N3O3/c29-25(30)22-15-28(16-22)14-17-6-8-20(9-7-17)23-26-24(31-27-23)21-12-10-19(11-13-21)18-4-2-1-3-5-18/h6-13,18,22H,1-5,14-16H2,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22220 (1,2,4-oxadiazole based compound, 37 | 1-{[4-(5-{4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)[C@@H]2CCC(F)(F)C2)C1 |r| Show InChI InChI=1S/C24H23F2N3O3/c25-24(26)10-9-19(11-24)16-5-7-18(8-6-16)22-27-21(28-32-22)17-3-1-15(2-4-17)12-29-13-20(14-29)23(30)31/h1-8,19-20H,9-14H2,(H,30,31)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22219 (1,2,4-oxadiazole based compound, 36 | 1-{[4-(5-{4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)[C@H]2CCC(F)(F)C2)C1 |r| Show InChI InChI=1S/C24H23F2N3O3/c25-24(26)10-9-19(11-24)16-5-7-18(8-6-16)22-27-21(28-32-22)17-3-1-15(2-4-17)12-29-13-20(14-29)23(30)31/h1-8,19-20H,9-14H2,(H,30,31)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22209 (1,2,4-oxadiazole based compound, 26 | 1-[(4-{5-[4-...) Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-15(2)11-16-3-9-19(10-4-16)22-24-21(25-29-22)18-7-5-17(6-8-18)12-26-13-20(14-26)23(27)28/h3-10,15,20H,11-14H2,1-2H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50158335 (1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...) Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1 Show InChI InChI=1S/C23H20F3NO3S/c24-23(25,26)21-20(16-4-2-1-3-5-16)10-19(31-21)14-30-18-8-6-15(7-9-18)11-27-12-17(13-27)22(28)29/h1-10,17H,11-14H2,(H,28,29)	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22206 (1,2,4-oxadiazole based compound, 23 | 1-({4-[5-(4-...) Show SMILES CCCc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C22H23N3O3/c1-2-3-15-4-10-18(11-5-15)21-23-20(24-28-21)17-8-6-16(7-9-17)12-25-13-19(14-25)22(26)27/h4-11,19H,2-3,12-14H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22205 (1,2,4-oxadiazole based compound, 22 | 1-[(4-{5-[4-...) Show SMILES CCC(C)(C)c1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H27N3O3/c1-4-24(2,3)20-11-9-18(10-12-20)22-25-21(26-30-22)17-7-5-16(6-8-17)13-27-14-19(15-27)23(28)29/h5-12,19H,4,13-15H2,1-3H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22216 (1,2,4-oxadiazole based compound, 33 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCCCC2)C1 Show InChI InChI=1S/C25H27N3O3/c29-25(30)22-15-28(16-22)14-17-6-8-20(9-7-17)23-26-24(31-27-23)21-12-10-19(11-13-21)18-4-2-1-3-5-18/h6-13,18,22H,1-5,14-16H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22206 (1,2,4-oxadiazole based compound, 23 | 1-({4-[5-(4-...) Show SMILES CCCc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C22H23N3O3/c1-2-3-15-4-10-18(11-5-15)21-23-20(24-28-21)17-8-6-16(7-9-17)12-25-13-19(14-25)22(26)27/h4-11,19H,2-3,12-14H2,1H3,(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22217 (1,2,4-oxadiazole based compound, 34 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)-c2ccccc2)C1 Show InChI InChI=1S/C25H21N3O3/c29-25(30)22-15-28(16-22)14-17-6-8-20(9-7-17)23-26-24(31-27-23)21-12-10-19(11-13-21)18-4-2-1-3-5-18/h1-13,22H,14-16H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50158334 (1-(3-methyl-4-((4-phenyl-5-(trifluoromethyl)thioph...) Show SMILES Cc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C24H22F3NO3S/c1-15-9-16(11-28-12-18(13-28)23(29)30)7-8-21(15)31-14-19-10-20(17-5-3-2-4-6-17)22(32-19)24(25,26)27/h2-10,18H,11-14H2,1H3,(H,29,30)	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22212 (1,2,4-oxadiazole based compound, 29 | 1-[(4-{5-[4-...) Show SMILES CC(C)Oc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C22H23N3O4/c1-14(2)28-19-9-7-17(8-10-19)21-23-20(24-29-21)16-5-3-15(4-6-16)11-25-12-18(13-25)22(26)27/h3-10,14,18H,11-13H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22205 (1,2,4-oxadiazole based compound, 22 | 1-[(4-{5-[4-...) Show SMILES CCC(C)(C)c1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H27N3O3/c1-4-24(2,3)20-11-9-18(10-12-20)22-25-21(26-30-22)17-7-5-16(6-8-17)13-27-14-19(15-27)23(28)29/h5-12,19H,4,13-15H2,1-3H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22214 (1,2,4-oxadiazole based compound, 31 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCC2)C1 Show InChI InChI=1S/C23H23N3O3/c27-23(28)20-13-26(14-20)12-15-4-6-18(7-5-15)21-24-22(29-25-21)19-10-8-17(9-11-19)16-2-1-3-16/h4-11,16,20H,1-3,12-14H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50148403 ((3-Tetradecylamino-propyl)-phosphonic acid | 3-(te...) Show SMILES CCCCCCCCCCCCCCNCCCP(O)(O)=O Show InChI InChI=1S/C17H38NO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-22(19,20)21/h18H,2-17H2,1H3,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22207 (1,2,4-oxadiazole based compound, 24 | 1-({4-[5-(4-...) Show SMILES CCCCc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-2-3-4-16-5-11-19(12-6-16)22-24-21(25-29-22)18-9-7-17(8-10-18)13-26-14-20(15-26)23(27)28/h5-12,20H,2-4,13-15H2,1H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50158346 (1-(3-fluoro-4-((4-phenyl-5-(trifluoromethyl)thioph...) Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(F)c2)C1 Show InChI InChI=1S/C23H19F4NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22207 (1,2,4-oxadiazole based compound, 24 | 1-({4-[5-(4-...) Show SMILES CCCCc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-2-3-4-16-5-11-19(12-6-16)22-24-21(25-29-22)18-9-7-17(8-10-18)13-26-14-20(15-26)23(27)28/h5-12,20H,2-4,13-15H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50158341 (1-(3-chloro-4-((4-phenyl-5-(trifluoromethyl)thioph...) Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1 Show InChI InChI=1S/C23H19ClF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)	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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50158347 (1-(3-ethyl-4-((4-phenyl-5-(trifluoromethyl)thiophe...) Show SMILES CCc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C25H24F3NO3S/c1-2-17-10-16(12-29-13-19(14-29)24(30)31)8-9-22(17)32-15-20-11-21(18-6-4-3-5-7-18)23(33-20)25(26,27)28/h3-11,19H,2,12-15H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50148403 ((3-Tetradecylamino-propyl)-phosphonic acid | 3-(te...) Show SMILES CCCCCCCCCCCCCCNCCCP(O)(O)=O Show InChI InChI=1S/C17H38NO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-22(19,20)21/h18H,2-17H2,1H3,(H2,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22210 (1,2,4-oxadiazole based compound, 27 | 1-[(4-{5-[4-...) Show SMILES CC(C)(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H27N3O3/c1-24(2,3)12-16-4-10-19(11-5-16)22-25-21(26-30-22)18-8-6-17(7-9-18)13-27-14-20(15-27)23(28)29/h4-11,20H,12-15H2,1-3H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22204 (1,2,4-oxadiazole based compound, 21 | 1-({4-[5-(4-...) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-17(9-11-19)21-24-20(25-29-21)16-6-4-15(5-7-16)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50158338 (1-(3,5-dimethyl-4-((4-phenyl-5-(trifluoromethyl)th...) Show SMILES Cc1cc(CN2CC(C2)C(O)=O)cc(C)c1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C25H24F3NO3S/c1-15-8-17(11-29-12-19(13-29)24(30)31)9-16(2)22(15)32-14-20-10-21(18-6-4-3-5-7-18)23(33-20)25(26,27)28/h3-10,19H,11-14H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22214 (1,2,4-oxadiazole based compound, 31 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCC2)C1 Show InChI InChI=1S/C23H23N3O3/c27-23(28)20-13-26(14-20)12-15-4-6-18(7-5-15)21-24-22(29-25-21)19-10-8-17(9-11-19)16-2-1-3-16/h4-11,16,20H,1-3,12-14H2,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50148439 (3-(3-bromo-5-methoxy-4-(octyloxy)benzylamino)propy...) Show SMILES CCCCCCCCOc1c(Br)cc(CNCCCP(O)(O)=O)cc1OC Show InChI InChI=1S/C19H33BrNO5P/c1-3-4-5-6-7-8-11-26-19-17(20)13-16(14-18(19)25-2)15-21-10-9-12-27(22,23)24/h13-14,21H,3-12,15H2,1-2H3,(H2,22,23,24)	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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50158339 (1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...) Show SMILES OC(=O)C1CCN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1 Show InChI InChI=1S/C24H22F3NO3S/c25-24(26,27)22-21(17-4-2-1-3-5-17)12-20(32-22)15-31-19-8-6-16(7-9-19)13-28-11-10-18(14-28)23(29)30/h1-9,12,18H,10-11,13-15H2,(H,29,30)	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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22213 (1,2,4-oxadiazole based compound, 30 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CC2)C1 Show InChI InChI=1S/C22H21N3O3/c26-22(27)19-12-25(13-19)11-14-1-3-17(4-2-14)20-23-21(28-24-20)18-9-7-16(8-10-18)15-5-6-15/h1-4,7-10,15,19H,5-6,11-13H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22211 (1,2,4-oxadiazole based compound, 28 | 1-({4-[5-(4-...) Show SMILES CCOc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C21H21N3O4/c1-2-27-18-9-7-16(8-10-18)20-22-19(23-28-20)15-5-3-14(4-6-15)11-24-12-17(13-24)21(25)26/h3-10,17H,2,11-13H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22204 (1,2,4-oxadiazole based compound, 21 | 1-({4-[5-(4-...) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-17(9-11-19)21-24-20(25-29-21)16-6-4-15(5-7-16)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM23163 (CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1 Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50152329 (1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid | ...) Show SMILES CCCCCCCCCc1ccc(CN2CCC(C2)P(O)(O)=O)cc1 Show InChI InChI=1S/C20H34NO3P/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)16-21-15-14-20(17-21)25(22,23)24/h10-13,20H,2-9,14-17H2,1H3,(H2,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22208 (1,2,4-oxadiazole based compound, 25 | 1-({4-[5-(4-...) Show SMILES CCCCCCc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C25H29N3O3/c1-2-3-4-5-6-18-7-13-21(14-8-18)24-26-23(27-31-24)20-11-9-19(10-12-20)15-28-16-22(17-28)25(29)30/h7-14,22H,2-6,15-17H2,1H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22210 (1,2,4-oxadiazole based compound, 27 | 1-[(4-{5-[4-...) Show SMILES CC(C)(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H27N3O3/c1-24(2,3)12-16-4-10-19(11-5-16)22-25-21(26-30-22)18-8-6-17(7-9-18)13-27-14-20(15-27)23(28)29/h4-11,20H,12-15H2,1-3H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...				J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50152329 (1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid | ...) Show SMILES CCCCCCCCCc1ccc(CN2CCC(C2)P(O)(O)=O)cc1 Show InChI InChI=1S/C20H34NO3P/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)16-21-15-14-20(17-21)25(22,23)24/h10-13,20H,2-9,14-17H2,1H3,(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50158340 (1-(3,5-dichloro-4-((4-phenyl-5-(trifluoromethyl)th...) Show SMILES OC(=O)C1CN(Cc2cc(Cl)c(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1 Show InChI InChI=1S/C23H18Cl2F3NO3S/c24-18-6-13(9-29-10-15(11-29)22(30)31)7-19(25)20(18)32-12-16-8-17(14-4-2-1-3-5-14)21(33-16)23(26,27)28/h1-8,15H,9-12H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50158351 (26-tert-butyl-13-(2,4,4-trimethylpentan-2-yl)-3,6,...) Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(c2)C(F)(F)F)C1 Show InChI InChI=1S/C24H19F6NO3S/c25-23(26,27)19-8-14(10-31-11-16(12-31)22(32)33)6-7-20(19)34-13-17-9-18(15-4-2-1-3-5-15)21(35-17)24(28,29)30/h1-9,16H,10-13H2,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair

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