Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50147701'   

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 1 (Homo sapiens (Human))	BDBM50147701 (4-Amino-6-(4-octyl-phenyl)-hexanoic acid | 4-amino...) Show SMILES CCCCCCCCc1ccc(CCC(N)CCC(O)=O)cc1 Show InChI InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(21)15-16-20(22)23/h9-12,19H,2-8,13-16,21H2,1H3,(H,22,23)	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	710	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1485-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.118 BindingDB Entry DOI: 10.7270/Q2WD40QR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50147701 (4-Amino-6-(4-octyl-phenyl)-hexanoic acid | 4-amino...) Show SMILES CCCCCCCCc1ccc(CCC(N)CCC(O)=O)cc1 Show InChI InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(21)15-16-20(22)23/h9-12,19H,2-8,13-16,21H2,1H3,(H,22,23)	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	710	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes				Bioorg Med Chem Lett 14: 3351-5 (2004) Article DOI: 10.1016/j.bmcl.2004.02.106 BindingDB Entry DOI: 10.7270/Q2QN667K
					More data for this Ligand-Target Pair