Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50037351   

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 5 (Homo sapiens (Human))	BDBM50152536 ((S)-2-Amino-2-(6-octyl-1H-benzoimidazol-2-yl)-etha...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@H](N)CO Show InChI InChI=1S/C17H27N3O/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-21/h9-11,14,21H,2-8,12,18H2,1H3,(H,19,20)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	390	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50152541 ((R)-2-Amino-2-(6-octyl-1H-benzoimidazol-2-yl)-etha...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)CO Show InChI InChI=1S/C17H27N3O/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-21/h9-11,14,21H,2-8,12,18H2,1H3,(H,19,20)/t14-/m0/s1	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	4.20E+3	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50152536 ((S)-2-Amino-2-(6-octyl-1H-benzoimidazol-2-yl)-etha...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@H](N)CO Show InChI InChI=1S/C17H27N3O/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-21/h9-11,14,21H,2-8,12,18H2,1H3,(H,19,20)/t14-/m1/s1	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	1.60E+3	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50152537 (CHEMBL361915 | Phosphoric acid mono-[(S)-2-amino-2...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@H](N)COP(O)(O)=O Show InChI InChI=1S/C17H28N3O4P/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-24-25(21,22)23/h9-11,14H,2-8,12,18H2,1H3,(H,19,20)(H2,21,22,23)/t14-/m1/s1	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	36	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50152538 (CHEMBL185491 | Phosphoric acid mono-[(R)-2-amino-2...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)COP(O)(O)=O Show InChI InChI=1S/C17H28N3O4P/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-24-25(21,22)23/h9-11,14H,2-8,12,18H2,1H3,(H,19,20)(H2,21,22,23)/t14-/m0/s1	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	37	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50152537 (CHEMBL361915 | Phosphoric acid mono-[(S)-2-amino-2...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@H](N)COP(O)(O)=O Show InChI InChI=1S/C17H28N3O4P/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-24-25(21,22)23/h9-11,14H,2-8,12,18H2,1H3,(H,19,20)(H2,21,22,23)/t14-/m1/s1	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	21	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50152539 (CHEMBL183894 | Phosphoric acid mono-[(1R,2R)-2-ami...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)[C@@H](C)OP(O)(O)=O Show InChI InChI=1S/C18H30N3O4P/c1-3-4-5-6-7-8-9-14-10-11-15-16(12-14)21-18(20-15)17(19)13(2)25-26(22,23)24/h10-13,17H,3-9,19H2,1-2H3,(H,20,21)(H2,22,23,24)/t13-,17+/m1/s1	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	240	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					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	n/a	n/a	1.70	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50152537 (CHEMBL361915 | Phosphoric acid mono-[(S)-2-amino-2...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@H](N)COP(O)(O)=O Show InChI InChI=1S/C17H28N3O4P/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-24-25(21,22)23/h9-11,14H,2-8,12,18H2,1H3,(H,19,20)(H2,21,22,23)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.20	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50152540 (CHEMBL433593 | Phosphoric acid mono-[2-amino-2-(6-...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)C(C)(N)COP(O)(O)=O Show InChI InChI=1S/C18H30N3O4P/c1-3-4-5-6-7-8-9-14-10-11-15-16(12-14)21-17(20-15)18(2,19)13-25-26(22,23)24/h10-12H,3-9,13,19H2,1-2H3,(H,20,21)(H2,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50152541 ((R)-2-Amino-2-(6-octyl-1H-benzoimidazol-2-yl)-etha...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)CO Show InChI InChI=1S/C17H27N3O/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-21/h9-11,14,21H,2-8,12,18H2,1H3,(H,19,20)/t14-/m0/s1	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	2.10E+3	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50152536 ((S)-2-Amino-2-(6-octyl-1H-benzoimidazol-2-yl)-etha...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@H](N)CO Show InChI InChI=1S/C17H27N3O/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-21/h9-11,14,21H,2-8,12,18H2,1H3,(H,19,20)/t14-/m1/s1	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	330	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50152540 (CHEMBL433593 | Phosphoric acid mono-[2-amino-2-(6-...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)C(C)(N)COP(O)(O)=O Show InChI InChI=1S/C18H30N3O4P/c1-3-4-5-6-7-8-9-14-10-11-15-16(12-14)21-17(20-15)18(2,19)13-25-26(22,23)24/h10-12H,3-9,13,19H2,1-2H3,(H,20,21)(H2,22,23,24)	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	1.20E+3	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50152539 (CHEMBL183894 | Phosphoric acid mono-[(1R,2R)-2-ami...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)[C@@H](C)OP(O)(O)=O Show InChI InChI=1S/C18H30N3O4P/c1-3-4-5-6-7-8-9-14-10-11-15-16(12-14)21-18(20-15)17(19)13(2)25-26(22,23)24/h10-13,17H,3-9,19H2,1-2H3,(H,20,21)(H2,22,23,24)/t13-,17+/m1/s1	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	94	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50152539 (CHEMBL183894 | Phosphoric acid mono-[(1R,2R)-2-ami...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)[C@@H](C)OP(O)(O)=O Show InChI InChI=1S/C18H30N3O4P/c1-3-4-5-6-7-8-9-14-10-11-15-16(12-14)21-18(20-15)17(19)13(2)25-26(22,23)24/h10-13,17H,3-9,19H2,1-2H3,(H,20,21)(H2,22,23,24)/t13-,17+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	77	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					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	n/a	n/a	20	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50152538 (CHEMBL185491 | Phosphoric acid mono-[(R)-2-amino-2...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)COP(O)(O)=O Show InChI InChI=1S/C17H28N3O4P/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-24-25(21,22)23/h9-11,14H,2-8,12,18H2,1H3,(H,19,20)(H2,21,22,23)/t14-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.60	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50152538 (CHEMBL185491 | Phosphoric acid mono-[(R)-2-amino-2...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)COP(O)(O)=O Show InChI InChI=1S/C17H28N3O4P/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-24-25(21,22)23/h9-11,14H,2-8,12,18H2,1H3,(H,19,20)(H2,21,22,23)/t14-/m0/s1	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	48	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50152541 ((R)-2-Amino-2-(6-octyl-1H-benzoimidazol-2-yl)-etha...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)CO Show InChI InChI=1S/C17H27N3O/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-21/h9-11,14,21H,2-8,12,18H2,1H3,(H,19,20)/t14-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50152540 (CHEMBL433593 | Phosphoric acid mono-[2-amino-2-(6-...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)C(C)(N)COP(O)(O)=O Show InChI InChI=1S/C18H30N3O4P/c1-3-4-5-6-7-8-9-14-10-11-15-16(12-14)21-17(20-15)18(2,19)13-25-26(22,23)24/h10-12H,3-9,13,19H2,1-2H3,(H,20,21)(H2,22,23,24)	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	1.00E+3	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
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	n/a	n/a	1.20	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 3 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50152542 ((1R,2R)-1-Amino-1-(6-octyl-1H-benzoimidazol-2-yl)-...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)[C@@H](C)O Show InChI InChI=1S/C18H29N3O/c1-3-4-5-6-7-8-9-14-10-11-15-16(12-14)21-18(20-15)17(19)13(2)22/h10-13,17,22H,3-9,19H2,1-2H3,(H,20,21)/t13-,17+/m1/s1	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+4	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50152542 ((1R,2R)-1-Amino-1-(6-octyl-1H-benzoimidazol-2-yl)-...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)[C@@H](C)O Show InChI InChI=1S/C18H29N3O/c1-3-4-5-6-7-8-9-14-10-11-15-16(12-14)21-18(20-15)17(19)13(2)22/h10-13,17,22H,3-9,19H2,1-2H3,(H,20,21)/t13-,17+/m1/s1	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	2.90E+3	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					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	n/a	n/a	2.20	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair				3D Structure (crystal)