Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50335454'   

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))	BDBM50335454 (1-(4-(5-(piperidin-1-yl)benzofuran-2-yl)benzyl)aze...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2cc3cc(ccc3o2)N2CCCCC2)C1 Show InChI InChI=1S/C24H26N2O3/c27-24(28)20-15-25(16-20)14-17-4-6-18(7-5-17)23-13-19-12-21(8-9-22(19)29-23)26-10-2-1-3-11-26/h4-9,12-13,20H,1-3,10-11,14-16H2,(H,27,28)	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	620	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))	BDBM50335454 (1-(4-(5-(piperidin-1-yl)benzofuran-2-yl)benzyl)aze...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2cc3cc(ccc3o2)N2CCCCC2)C1 Show InChI InChI=1S/C24H26N2O3/c27-24(28)20-15-25(16-20)14-17-4-6-18(7-5-17)23-13-19-12-21(8-9-22(19)29-23)26-10-2-1-3-11-26/h4-9,12-13,20H,1-3,10-11,14-16H2,(H,27,28)	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	1.50E+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