Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 5' and Ligand = 'BDBM50185148'   

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 5 (Homo sapiens (Human))	BDBM50185148 ((+/-)-cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiaz...) Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1CC[C@H](N1)C(O)=O Show InChI InChI=1S/C23H25N3O3/c1-14(2)13-15-3-5-18(6-4-15)22-25-21(26-29-22)17-9-7-16(8-10-17)19-11-12-20(24-19)23(27)28/h3-10,14,19-20,24H,11-13H2,1-2H3,(H,27,28)/t19-,20+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]S1P from S1P5 expressed in CHO cells				Bioorg Med Chem Lett 16: 2905-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.038 BindingDB Entry DOI: 10.7270/Q2GQ6XCK
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