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SMILES: OC(=O)CCCN1CCc2oc(nc2C1)-c1ccc(OCc2ccc(cc2)C(F)(F)F)c(F)c1

InChI Key: InChIKey=HNJBLQYKBJTYCD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 195899   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM195899 (US9670220, 85) Show SMILES OC(=O)CCCN1CCc2oc(nc2C1)-c1ccc(OCc2ccc(cc2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C24H22F4N2O4/c25-18-12-16(5-8-20(18)33-14-15-3-6-17(7-4-15)24(26,27)28)23-29-19-13-30(10-1-2-22(31)32)11-9-21(19)34-23/h3-8,12H,1-2,9-11,13-14H2,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
Abbvie B.V.; AbbiVie Inc. US Patent					Assay Description The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...				US Patent US9670220 (2017) BindingDB Entry DOI: 10.7270/Q2QJ7FHD
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM195899 (US9670220, 85) Show SMILES OC(=O)CCCN1CCc2oc(nc2C1)-c1ccc(OCc2ccc(cc2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C24H22F4N2O4/c25-18-12-16(5-8-20(18)33-14-15-3-6-17(7-4-15)24(26,27)28)23-29-19-13-30(10-1-2-22(31)32)11-9-21(19)34-23/h3-8,12H,1-2,9-11,13-14H2,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
Abbvie B.V.; AbbiVie Inc. US Patent					Assay Description The CHO-human-S1P3-Aeqorin assay (CHO/Gα16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (...				US Patent US9670220 (2017) BindingDB Entry DOI: 10.7270/Q2QJ7FHD
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM195899 (US9670220, 85) Show SMILES OC(=O)CCCN1CCc2oc(nc2C1)-c1ccc(OCc2ccc(cc2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C24H22F4N2O4/c25-18-12-16(5-8-20(18)33-14-15-3-6-17(7-4-15)24(26,27)28)23-29-19-13-30(10-1-2-22(31)32)11-9-21(19)34-23/h3-8,12H,1-2,9-11,13-14H2,(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	>3.20E+3	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
					More data for this Ligand-Target Pair