Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50419201'   

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 3 (Homo sapiens (Human))	BDBM50419201 (CHEMBL1836171) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CN(CC(=O)N[C@@H](C)CO)CCc2c1C |r| Show InChI InChI=1S/C27H31N5O4/c1-16(2)35-24-8-6-19(11-21(24)12-28)27-30-26(31-36-27)23-7-5-20-13-32(10-9-22(20)18(23)4)14-25(34)29-17(3)15-33/h5-8,11,16-17,33H,9-10,13-15H2,1-4H3,(H,29,34)/t17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in RBL cells assessed as [35S]GTPgammaS binding after 3 hrs by radiometric assay				J Med Chem 54: 6724-33 (2011) Article DOI: 10.1021/jm200609t BindingDB Entry DOI: 10.7270/Q27P8ZSM
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