Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50031504   

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))	BDBM23165 (CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| 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)/t19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.134	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM23164 (CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1 |r| 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)/t19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50314401 (2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydr...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)C(N)(CO)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO5P/c1-2-3-4-5-6-7-8-17-9-10-19-14-20(12-11-18(19)13-17)21(22,15-23)16-27-28(24,25)26/h9-10,13,20,23H,2-8,11-12,14-16,22H2,1H3,(H2,24,25,26)/t20-,21?/m1/s1	PDB 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	0.215	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50314401 (2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydr...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)C(N)(CO)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO5P/c1-2-3-4-5-6-7-8-17-9-10-19-14-20(12-11-18(19)13-17)21(22,15-23)16-27-28(24,25)26/h9-10,13,20,23H,2-8,11-12,14-16,22H2,1H3,(H2,24,25,26)/t20-,21?/m1/s1	PDB 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	>5.00E+3	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					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	0.449	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50314403 ((R)-2-amino-2-((R)-6-octyl-1,2,3,4-tetrahydronapht...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21+/m1/s1	PDB 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	0.150	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50314404 ((S)-2-amino-2-((R)-6-octyl-1,2,3,4-tetrahydronapht...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)[C@](C)(N)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21-/m1/s1	PDB 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	>5.00E+3	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50314405 ((S)-2-amino-2-((S)-6-octyl-1,2,3,4-tetrahydronapht...) Show SMILES CCCCCCCCc1ccc2C[C@H](CCc2c1)[C@](C)(N)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21+/m0/s1	PDB 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	>5.00E+3	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50314402 ((R)-2-amino-2-((S)-6-octyl-1,2,3,4-tetrahydronapht...) Show SMILES CCCCCCCCc1ccc2C[C@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21-/m0/s1	PDB 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	0.286	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair