Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50034634'   

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))	BDBM50034634 (CHEMBL3360362) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CCNCCc12 Show InChI InChI=1S/C21H22ClN3O2/c1-13(2)26-19-7-6-15(12-18(19)22)21-24-20(25-27-21)17-5-3-4-14-8-10-23-11-9-16(14)17/h3-7,12-13,23H,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins				J Med Chem 57: 10424-42 (2014) Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX
					More data for this Ligand-Target Pair