Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50305377'   

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))	BDBM50305377 (3-[3-Oxo-3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-te...) Show SMILES Cc1nn(C(=O)\C=C\c2cccc(c2)S(N)(=O)=O)c2C[C@@H]3[C@H](c12)C3(C)C |r| Show InChI InChI=1S/C19H21N3O3S/c1-11-17-15(10-14-18(17)19(14,2)3)22(21-11)16(23)8-7-12-5-4-6-13(9-12)26(20,24)25/h4-9,14,18H,10H2,1-3H3,(H2,20,24,25)/b8-7+/t14-,18-/m1/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	1.35E+3	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 20: 35-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.045 BindingDB Entry DOI: 10.7270/Q2D79BH1
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