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SMILES: CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCO3)cc2n1Cc1ccccc1

InChI Key: InChIKey=FRGLCXJTNHCBSP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 101055   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM101055
PNG
(US8524917, 28)
Show SMILES CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCO3)cc2n1Cc1ccccc1
Show InChI InChI=1S/C30H30F2N2O3/c1-19(2)29-28(30(35)33-17-21-10-13-24(31)25(32)15-21)23-12-11-22(37-27-9-6-14-36-27)16-26(23)34(29)18-20-7-4-3-5-8-20/h3-5,7-8,10-13,15-16,19,27H,6,9,14,17-18H2,1-2H3,(H,33,35)
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Similars
US Patent
n/an/a 6n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Inhibition assay using sphingosine-1-phosphate receptor 3.

US Patent US8524917 (2013)


BindingDB Entry DOI: 10.7270/Q2G15ZG2
More data for this
Ligand-Target Pair