Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50164496'   

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))	BDBM50164496 (CHEMBL3798784) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2noc(c2-c2ccccc2)-c2ccccc2)C1 Show InChI InChI=1S/C28H22N4O4/c33-28(34)22-16-32(17-22)15-18-11-13-21(14-12-18)26-29-27(36-31-26)24-23(19-7-3-1-4-8-19)25(35-30-24)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,33,34)	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	130	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay				J Med Chem 59: 2820-40 (2016) Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K
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