Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 5' and Ligand = 'BDBM50314401'   

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))	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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.330	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P5 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 5 (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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.330	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P5 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