Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50305386'   

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))	BDBM50305386 (1-((3bS,4aR)-3,4,4-Trimethyl-3b,4,4a,5-tetrahydro-...) Show SMILES CCCCCCC(=O)n1nc(C)c2[C@H]3[C@@H](Cc12)C3(C)C |r| Show InChI InChI=1S/C17H26N2O/c1-5-6-7-8-9-14(20)19-13-10-12-16(17(12,3)4)15(13)11(2)18-19/h12,16H,5-10H2,1-4H3/t12-,16-/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	>1.00E+4	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 20: 35-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.045 BindingDB Entry DOI: 10.7270/Q2D79BH1
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