Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM196261'   

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))	BDBM196261 (US9670220, 271) Show SMILES CC(CN1CCc2oc(nc2C1)-c1ccc(OCc2ccc(cc2)C(F)(F)F)c(F)c1)C(O)=O Show InChI InChI=1S/C24H22F4N2O4/c1-14(23(31)32)11-30-9-8-21-19(12-30)29-22(34-21)16-4-7-20(18(25)10-16)33-13-15-2-5-17(6-3-15)24(26,27)28/h2-7,10,14H,8-9,11-13H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	630	n/a	n/a	n/a	25
Abbvie B.V.; AbbiVie Inc. US Patent					Assay Description The CHO-K1-Human S1P1-c-AMP assay was performed at Euroscreenfast, Brussels (Euroscreen, Human S1P1 coupling Gi/0, (Edg1) receptor, catalog no: FAST-...				US Patent US9670220 (2017) BindingDB Entry DOI: 10.7270/Q2QJ7FHD
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