Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50305376'   

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))	BDBM50305376 (3-(3-Trifluoromethyl-phenyl)-1-((3bS,4aR)-3,4,4-tr...) Show SMILES Cc1nn(C(=O)\C=C\c2cccc(c2)C(F)(F)F)c2C[C@@H]3[C@H](c12)C3(C)C |r| Show InChI InChI=1S/C20H19F3N2O/c1-11-17-15(10-14-18(17)19(14,2)3)25(24-11)16(26)8-7-12-5-4-6-13(9-12)20(21,22)23/h4-9,14,18H,10H2,1-3H3/b8-7+/t14-,18-/m1/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	26	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human SIP1 receptor expressed in CHO cells 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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