Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50313500'   

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))	BDBM50313500 ((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentan...) Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCS(O)(=O)=O)cc1 |r| Show InChI InChI=1S/C19H33NO4S/c1-3-4-5-6-7-15-24-18-10-8-17(9-11-18)12-13-19(2,20)14-16-25(21,22)23/h8-11H,3-7,12-16,20H2,1-2H3,(H,21,22,23)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding				Bioorg Med Chem Lett 20: 1485-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.118 BindingDB Entry DOI: 10.7270/Q2WD40QR
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