Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50335451'   

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))	BDBM50335451 (1-(4-(5-phenethylbenzofuran-2-yl)benzyl)azetidine-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2cc3cc(CCc4ccccc4)ccc3o2)C1 Show InChI InChI=1S/C27H25NO3/c29-27(30)24-17-28(18-24)16-21-8-11-22(12-9-21)26-15-23-14-20(10-13-25(23)31-26)7-6-19-4-2-1-3-5-19/h1-5,8-15,24H,6-7,16-18H2,(H,29,30)	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	n/a	n/a	354	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))	BDBM50335451 (1-(4-(5-phenethylbenzofuran-2-yl)benzyl)azetidine-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2cc3cc(CCc4ccccc4)ccc3o2)C1 Show InChI InChI=1S/C27H25NO3/c29-27(30)24-17-28(18-24)16-21-8-11-22(12-9-21)26-15-23-14-20(10-13-25(23)31-26)7-6-19-4-2-1-3-5-19/h1-5,8-15,24H,6-7,16-18H2,(H,29,30)	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	n/a	n/a	580	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