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SMILES: CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1cccnc1

InChI Key: InChIKey=NKZAMBRDJSNMSL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 101121   
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))		BDBM101121
PNG
(US8524917, 94)
Show SMILES CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1cccnc1
Show InChI InChI=1S/C30H31F2N3O2/c1-19(2)29-28(30(36)34-17-20-9-12-25(31)26(32)14-20)24-11-10-23(37-22-7-3-4-8-22)15-27(24)35(29)18-21-6-5-13-33-16-21/h5-6,9-16,19,22H,3-4,7-8,17-18H2,1-2H3,(H,34,36)
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Similars
US Patent
n/an/a 5n/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