Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50136546'   

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))	BDBM50136546 (CHEMBL3753881) Show SMILES CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1ccc(OC[C@H]2COC(=O)N2)nc1 |r| Show InChI InChI=1S/C20H22N6O4/c1-11(2)22-16-7-14(6-12(3)23-16)19-25-18(26-30-19)13-4-5-17(21-8-13)28-9-15-10-29-20(27)24-15/h4-8,11,15H,9-10H2,1-3H3,(H,22,23)(H,24,27)/t15-/m0/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	7.30	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin ...				Bioorg Med Chem Lett 26: 466-71 (2016) Article DOI: 10.1016/j.bmcl.2015.11.090 BindingDB Entry DOI: 10.7270/Q2GX4DD4
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