Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50314405'   

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))	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	922	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 Gq 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