Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50335456'   

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))	BDBM50335456 (1-((2-(5-butoxybenzofuran-2-yl)thiazol-5-yl)methyl...) Show SMILES CCCCOc1ccc2oc(cc2c1)-c1ncc(CN2CC(C2)C(O)=O)s1 Show InChI InChI=1S/C20H22N2O4S/c1-2-3-6-25-15-4-5-17-13(7-15)8-18(26-17)19-21-9-16(27-19)12-22-10-14(11-22)20(23)24/h4-5,7-9,14H,2-3,6,10-12H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy				ACS Med Chem Lett 2: 97-101 (2011) Article DOI: 10.1021/ml100227q BindingDB Entry DOI: 10.7270/Q2WM1DP6
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50335456 (1-((2-(5-butoxybenzofuran-2-yl)thiazol-5-yl)methyl...) Show SMILES CCCCOc1ccc2oc(cc2c1)-c1ncc(CN2CC(C2)C(O)=O)s1 Show InChI InChI=1S/C20H22N2O4S/c1-2-3-6-25-15-4-5-17-13(7-15)8-18(26-17)19-21-9-16(27-19)12-22-10-14(11-22)20(23)24/h4-5,7-9,14H,2-3,6,10-12H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				ACS Med Chem Lett 2: 97-101 (2011) Article DOI: 10.1021/ml100227q BindingDB Entry DOI: 10.7270/Q2WM1DP6
					More data for this Ligand-Target Pair