Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50045326'   

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))	BDBM50045326 (CHEMBL3311348) Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)c(C)c2)cc1 |r| Show InChI InChI=1S/C23H32NO6P/c1-17-7-9-19(10-8-17)5-4-6-22(25)20-11-12-21(18(2)13-20)14-29-15-23(3,24)16-30-31(26,27)28/h7-13H,4-6,14-16,24H2,1-3H3,(H2,26,27,28)/t23-/m1/s1	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	3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co, Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay				Bioorg Med Chem 22: 4246-56 (2014) Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788
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