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SMILES: CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccc1

InChI Key: InChIKey=MVPSPWKUUIWJIW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 101044   
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))		BDBM101044
PNG
(US8524917, 17)
Show SMILES CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccc1
Show InChI InChI=1S/C31H32F2N2O2/c1-20(2)30-29(31(36)34-18-22-12-15-26(32)27(33)16-22)25-14-13-24(37-23-10-6-7-11-23)17-28(25)35(30)19-21-8-4-3-5-9-21/h3-5,8-9,12-17,20,23H,6-7,10-11,18-19H2,1-2H3,(H,34,36)
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Similars
US Patent
n/an/a 3n/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