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SMILES: CCCCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1

InChI Key: InChIKey=URHAVMFSKVIAHW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 101190   
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))		BDBM101190
PNG
(US8524917, 163)
Show SMILES CCCCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C31H32F2N2O3/c1-4-5-15-38-31(37)23-12-13-24-27(17-23)35(19-21-9-7-6-8-10-21)29(20(2)3)28(24)30(36)34-18-22-11-14-25(32)26(33)16-22/h6-14,16-17,20H,4-5,15,18-19H2,1-3H3,(H,34,36)
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Similars
US Patent
n/an/a 4n/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