Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50203775'   

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))	BDBM50203775 ((Z)-5-[1-(4-cetyloxy-3-methoxyphenyl)-1-phenylmeth...) Show SMILES CCCCCCCCCCCCCCCCOc1ccc(cc1OC)C(=N/NS(=O)(=O)c1cc(cc(c1)C(O)=O)C(O)=O)\c1ccccc1 Show InChI InChI=1S/C38H50N2O8S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-48-34-23-22-30(28-35(34)47-2)36(29-20-17-16-18-21-29)39-40-49(45,46)33-26-31(37(41)42)25-32(27-33)38(43)44/h16-18,20-23,25-28,40H,3-15,19,24H2,1-2H3,(H,41,42)(H,43,44)/b39-36-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
TOA EIYO Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cells				J Med Chem 50: 442-54 (2007) Article DOI: 10.1021/jm060834d BindingDB Entry DOI: 10.7270/Q2NG4Q84
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