BDBM196286 US9670220, 306

SMILES: OC(=O)[C@H]1CC(C1)N1CCc2oc(nc2C1)-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1

InChI Key: InChIKey=NLNPNWKCODMZAM-FNGKDXACSA-N

Data: 3 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 196286   

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))	BDBM196286 (US9670220, 306) Show SMILES OC(=O)[C@H]1CC(C1)N1CCc2oc(nc2C1)-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:3.2,(10.37,-1.61,;9.12,-2.52,;7.72,-1.89,;9.28,-4.05,;8.81,-5.51,;7.28,-5.35,;7.75,-3.89,;5.94,-6.12,;5.94,-7.66,;4.61,-8.43,;3.28,-7.66,;1.81,-8.14,;.91,-6.89,;1.81,-5.65,;3.28,-6.12,;4.61,-5.35,;-.64,-6.89,;-1.41,-8.23,;-2.94,-8.23,;-3.72,-6.89,;-5.26,-6.89,;-6.03,-5.56,;-7.57,-5.56,;-8.34,-6.89,;-9.88,-6.89,;-10.65,-5.56,;-12.19,-5.56,;-12.96,-4.23,;-14.5,-4.23,;-12.19,-2.89,;-13.73,-5.56,;-9.88,-4.22,;-8.34,-4.23,;-2.94,-5.56,;-1.41,-5.56,)| Show InChI InChI=1S/C25H23F3N2O5/c26-25(27,28)35-20-5-1-15(2-6-20)14-33-19-7-3-16(4-8-19)23-29-21-13-30(10-9-22(21)34-23)18-11-17(12-18)24(31)32/h1-8,17-18H,9-14H2,(H,31,32)/t17-,18?	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	7.90	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))	BDBM196286 (US9670220, 306) Show SMILES OC(=O)[C@H]1CC(C1)N1CCc2oc(nc2C1)-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:3.2,(10.37,-1.61,;9.12,-2.52,;7.72,-1.89,;9.28,-4.05,;8.81,-5.51,;7.28,-5.35,;7.75,-3.89,;5.94,-6.12,;5.94,-7.66,;4.61,-8.43,;3.28,-7.66,;1.81,-8.14,;.91,-6.89,;1.81,-5.65,;3.28,-6.12,;4.61,-5.35,;-.64,-6.89,;-1.41,-8.23,;-2.94,-8.23,;-3.72,-6.89,;-5.26,-6.89,;-6.03,-5.56,;-7.57,-5.56,;-8.34,-6.89,;-9.88,-6.89,;-10.65,-5.56,;-12.19,-5.56,;-12.96,-4.23,;-14.5,-4.23,;-12.19,-2.89,;-13.73,-5.56,;-9.88,-4.22,;-8.34,-4.23,;-2.94,-5.56,;-1.41,-5.56,)| Show InChI InChI=1S/C25H23F3N2O5/c26-25(27,28)35-20-5-1-15(2-6-20)14-33-19-7-3-16(4-8-19)23-29-21-13-30(10-9-22(21)34-23)18-11-17(12-18)24(31)32/h1-8,17-18H,9-14H2,(H,31,32)/t17-,18?	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	>1.00E+4	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))	BDBM196286 (US9670220, 306) Show SMILES OC(=O)[C@H]1CC(C1)N1CCc2oc(nc2C1)-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:3.2,(10.37,-1.61,;9.12,-2.52,;7.72,-1.89,;9.28,-4.05,;8.81,-5.51,;7.28,-5.35,;7.75,-3.89,;5.94,-6.12,;5.94,-7.66,;4.61,-8.43,;3.28,-7.66,;1.81,-8.14,;.91,-6.89,;1.81,-5.65,;3.28,-6.12,;4.61,-5.35,;-.64,-6.89,;-1.41,-8.23,;-2.94,-8.23,;-3.72,-6.89,;-5.26,-6.89,;-6.03,-5.56,;-7.57,-5.56,;-8.34,-6.89,;-9.88,-6.89,;-10.65,-5.56,;-12.19,-5.56,;-12.96,-4.23,;-14.5,-4.23,;-12.19,-2.89,;-13.73,-5.56,;-9.88,-4.22,;-8.34,-4.23,;-2.94,-5.56,;-1.41,-5.56,)| Show InChI InChI=1S/C25H23F3N2O5/c26-25(27,28)35-20-5-1-15(2-6-20)14-33-19-7-3-16(4-8-19)23-29-21-13-30(10-9-22(21)34-23)18-11-17(12-18)24(31)32/h1-8,17-18H,9-14H2,(H,31,32)/t17-,18?	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	>1.00E+4	n/a	n/a	n/a	n/a
Abbvie B.V.; AbbiVie Inc. US Patent					Assay Description The CHO-K1-human-S1P1-Acqorin assay was bought from Euroscreen Fast, Brussels (Euroscreen, Technical dossier, Human S1P1 (Edg1) receptor, DNA clone a...				US Patent US9670220 (2017) BindingDB Entry DOI: 10.7270/Q2QJ7FHD
					More data for this Ligand-Target Pair